Phytochemical database

No Ligand ID Drug Group Generic Name Name of Plant MW Smile Edit
1 HB00001 Phytochemical hispanolone Leonurus japonicus 318.46 [C@@]1([C@@]2([C@@H](CC(=O)[C@H]1C)C(CCC2)(C)C)C)(CCc1cocc1)O
2 HB00002 Phytochemical Kansuinin B Euphorbia kansui 720.76 [C@@]1([C@@H]([C@H]2[C@]([C@H]1O)(C(=O)[C@@H](C)[C@H]1[C@@H](C1)C(C(=O)[C@@H]([C@H](C(=C)[C@@H]2OC(=O)c1ccccc1)OC(=O)c1ccccc1)O)(C)C)OC(=O)C)OC(=O)C)(C)O
3 HB00003 Phytochemical Borenolide Chrysanthemum boreale Mak. 324.37 [C@@]1([C@@H]2[C@H]([C@@H]3[C@@H]([C@H](C1)OC(=O)C)C(=C)C(=O)O3)[C@H]([C@@H](C2)O)C)(C)O
4 HB00004 Phytochemical 8-Acetoxy-2-methoxy-10-hydroxy-3,11(13)-guaiadien-12,6-olide Chrysanthemum boreale Mak. 336.38 [C@@]1([C@@H]2[C@H]([C@@H]3[C@@H]([C@H](C1)OC(=O)C)C(=C)C(=O)O3)C(=C[C@@H]2OC)C)(C)O
5 HB00005 Phytochemical Isolinderalacton Lindera aggregate 244.29 [C@@]1([C@@H]2[C@H](c3c(C1)occ3C)OC(=O)C2=C)(C=C)C
6 HB00006 Phytochemical Rubricauloside Peucedanum rubricaule Shan et Shch 602.58 [C@@]1([C@H]([C@@H](OC1)OC[C@@H]1CC([C@H]([C@@H](O1)OC(C)(C)C(O)Cc1c2oc(=O)ccc2c(cc1OC)OC)O)(O)O)O)(CO)O
7 HB00007 Phytochemical Saussurea lactone Aucklandia lappa, Saussurea lappa Clarke 234.33 [C@@]1([C@H]([C@@H]2C(CC1)C(C)C(=O)O2)C(=C)C)(C=C)C
8 HB00008 Phytochemical Bicycloelemene Angelica sinensis, Conocephalum conicum 204.35 [C@@]1([C@H]([C@H]2[C@@H](CC1)C2(C)C)C(=C)C)(C=C)C
9 HB00009 Phytochemical Apiose Spirodela polyrrhiza 150.13 [C@@]1([C@H](C(OC1)O)O)(CO)O
10 HB00010 Phytochemical Isohumulone A Humulus lupulus L. 362.46 [C@@]1(C(=C(C(=O)[C@@H]1CC=C(C)C)C(=O)CC(C)C)O)(C(=O)CC=C(C)C)O
11 HB00011 Phytochemical neobritannilactone,a Inula Britannica 310.39 [C@@]1(C(=C[C@H]2[C@@H](C1)OC(=O)[C@H]2C)[C@H](CCCOC(=O)C)C)(C)O
12 HB00012 Phytochemical 5-Hydroxy-2,8-dimethyl-6-(3-methyl-2-butenyl)-8-(3,7-dimethyl-2,6-octadienyl)-2H-1-benzopyran-4,7(3H,8H)-dione Mallotus apelta 412.56 [C@@]1(C(=O)C(=C(C2=C1O[C@@H](CC2=O)C)O)CC=C(C)C)(C/C=C(/CCC=C(C)C)\C)C
13 HB00013 Phytochemical Brasiliensophyllic acid B Calophyllum brasiliense 560.72 [C@@]1(C(=O)C(=C2C(=C1O)C(=O)[C@@H]([C@H](O2)C)C)[C@@H](CC(=O)O)c1ccccc1)(CC=C(C)C)C[C@H]1C[C@H](C1(C)C)C(=C)C
14 HB00014 Phytochemical 2,3-Dihydroxy-2-methyl-butyolactone Anaphalis margaritacea (L) Benth. et Hook. f. 132.12 [C@@]1(C(=O)OC[C@H]1O)(C)O
15 HB00015 Phytochemical 5,4'-Dihydroxy-8-(3,3-dimethylallyl)-2''-hydroxymethyl-2''-meth-ylpyrano[5,6:6,7]isoflavone Erythrina variegata 420.45 [C@@]1(C=Cc2c(O1)c(c1c(c2O)c(=O)c(co1)c1ccc(cc1)O)CC=C(C)C)(C)CO
16 HB00016 Phytochemical isolinderalactone Lindera aggregate 244.29 [C@@]1(C2[C@H](c3c(C1)occ3C)OC(=O)C2=C)(C=C)C
17 HB00017 Phytochemical trans-p-2-Menthen-1-ol Amomum kravanh 154.25 [C@@]1(CC[C@@H](C=C1)C(C)C)(C)O
18 HB00018 Phytochemical (Z)-1beta-hydroxy-2-hydrolanceol Santalum album 238.37 [C@@]1(CC[C@@H](CC1)C(=C)CC/C=C(\CO)/C)(O)C
19 HB00019 Phytochemical Merrilliortholactone Illicium verum 316.35 [C@@]1(CC[C@]2([C@]31[C@@H]([C@@H]1[C@]([C@]2(CO[C@](C3)(O1)O)C)(C)O)O)O)(C)O
20 HB00020 Phytochemical trans-sabinenehydrate Coriandrum sativum L. 154.25 [C@@]1(CC2[C@](C1)(C2)C(C)C)(C)O
21 HB00021 Phytochemical Bisaborosaol F Rosa rugosa 296.40 [C@@]1(CCC(=CC1)C(=O)OC)([C@@](C/C=C/C(C)(C)O)(C)O)C
22 HB00022 Phytochemical 7-Epi-19-hydroxybaccatin B5677III Taxus chinensis 616.65 [C@@]12([C@@]([C@]3([C@@H](C[C@H]1O)OC3)OC(=O)C)([C@@H]([C@]1(C(C(=C([C@H](C1)O)C)[C@H](C2=O)OC(=O)C)(C)C)O)OC(=O)c1ccccc1)C)CO
23 HB00023 Phytochemical N-Isopentenyl-6-hydroxydendroxine Dendrobium nobile 376.51 [C@@]12([C@@]3([C@@H]4[C@@H]([C@H]([C@]51[N@@](C[C@H]2CC3)(CCO5)CC=C(C)C)OC4=O)C(C)C)O)C
24 HB00024 Phytochemical Rugosal Rosa rugosa Thunb. 266.33 [C@@]12([C@@]3([C@H](C=C([C@@H](C1)OO3)C=O)O)[C@H](CC2)C(C)C)C
25 HB00025 Phytochemical Ginsenol Panax ginseng C. A. Mey. 222.37 [C@@]12([C@@]3(CCC[C@]1([C@@H](CC3)C(C2)(C)C)C)C)O
26 HB00026 Phytochemical 5alpha-Deacetylbaccatin Taxus baccata 594.65 [C@@]12([C@@H]([C@@]3([C@H](C[C@@H]1OC(=O)C)O)CO3)[C@@H]([C@H]1C(C(=C([C@H](C1)OC(=O)C)C)[C@H]([C@@H]2OC(=O)C)OC(=O)C)(C)C)OC(=O)C)C
27 HB00027 Phytochemical 10beta-Deacetylspicatine Austrotaxus spicata 581.67 [C@@]12([C@@H]([C@@]3([C@H](C[CH]1)OC(=O)/C=C/c1ccccc1)CO3)[C@@H]([C@H]1C(C(=C([C@H](C1)OC(=O)C)C)[C@H]([C@@H]2O)O)(C)C)OC(=O)C)C
28 HB00028 Phytochemical yuanhuadine Daphne genkwa 601.70 [C@@]12([C@@H]([C@@]3(C([C@@H]4C5([C@@H]1C=C(C2=O)C)[C@@H]([C@H]([C@]1(C4OC(O1)(O5)/C=C/C=C/CCCCC)C(=C)C)C[C](=O)(C)O)C)O3)CO)O)O
29 HB00029 Phytochemical Blumealactone A Blumea balsamifera 364.43 [C@@]12([C@@H]([C@@H]([C@@H]3[C@@H]([C@@H]([C@@H](CCC1)C)O)OC(=O)C3=C)OC(=O)/C(=C/C)/C)O2)C
30 HB00030 Phytochemical Blumealactone B Blumea balsamifera 364.43 [C@@]12([C@@H]([C@@H]([C@@H]3[C@@H]([C@@H]([C@@H](CCC1)C)O)OC(=O)C3=C)OC(=O)C=C(C)C)O2)C
31 HB00031 Phytochemical Blumealactone C Blumea balsamifera 324.37 [C@@]12([C@@H]([C@@H]([C@@H]3[C@@H]([C@@H]([C@@H](CCC1)C)OC(=O)C)OC(=O)C3=C)O)O2)C
32 HB00032 Phytochemical 5alpha-O-(beta-D-Glucopyranosyl)-10beta-benzoyltazacustone Taxus cuspidata Sieb. et Zucc. 715.76 [C@@]12([C@@H]([C@@H](C3=C(C(=O)C[C@]3([C@H]([C@@H]1C(=C)C(C[CH]2)OC1O[C@@H]([C@H]([C@H]([C@H]1O)O)O)CO)OC(=O)C)C(C)(O)C)C)OC(=O)c1ccccc1)OC(=O)C)C
33 HB00033 Phytochemical 2-Debenzoyl-14beta-benzoyloxy-10-deacetylbaccatin III Taxus wallichiana Zucc. 560.59 [C@@]12([C@@H]([C@]3([C@@H](C[C@@H]1O)OC3)OC(=O)C)[C@@H]([C@]1(C(C(=C([C@H]([C@@H]1OC(=O)c1ccccc1)O)C)[C@H](C2=O)O)(C)C)O)O)C
34 HB00034 Phytochemical 2-Debenzoyl-2-tigloyl-10-deacetylbaccatin III Taxus baccata 521.58 [C@@]12([C@@H]([C@]3([C@@H](C[C@@H]1O)OC3)OC(=O)C)[C@@H]([C@]1(C(C(=C([C@H]([CH]1)O)C)[C@H](C2=O)O)(C)C)O)OC(=O)C=C(C)C)C
35 HB00035 Phytochemical 7,9,10-Deacetylbaccatin VI Taxus canadensis Marsh. 587.64 [C@@]12([C@@H]([C@]3([C@@H](C[C@@H]1O)OC3)OC(=O)C)[C@@H]([C@]1(C(C(=C([C@H]([CH]1)OC(=O)C)C)[C@H]([C@@H]2O)O)(C)C)O)OC(=O)c1ccccc1)C
36 HB00036 Phytochemical 7,9-Deacetylbaccatin IV Taxus baccata, Taxus baccata, Taxus brevifolia Nutt. 567.60 [C@@]12([C@@H]([C@]3([C@@H](C[C@@H]1O)OC3)OC(=O)C)[C@@H]([C@]1(C(C(=C([C@H]([CH]1)OC(=O)C)C)[C@H]([C@H]2O)OC(=O)C)(C)C)O)OC(=O)C)C
37 HB00037 Phytochemical 7,9-Deacetylbaccatin VI Taxus yunnanensis Cheng et L. K. Fu, Taxus canadensis Marsh. 629.67 [C@@]12([C@@H]([C@]3([C@@H](C[C@@H]1O)OC3)OC(=O)C)[C@@H]([C@]1(C(C(=C([C@H]([CH]1)OC(=O)C)C)[C@H]([C@H]2O)OC(=O)C)(C)C)O)OC(=O)c1ccccc1)C
38 HB00038 Phytochemical 10-Deactyltaxol B Taxus baccata, Taxus wallichiana Zucc. 789.86 [C@@]12([C@@H]([C@]3([C@@H](C[C@@H]1O)OC3)OC(=O)C)[C@@H]([C@]1(C(C(=C([C@H](C1)OC(=O)[C@@H](C(NC(=O)/C(=C/C)/C)c1ccccc1)O)C)[C@H](C2=O)O)(C)C)O)OC(=O)c1ccccc1)C
39 HB00039 Phytochemical N-Debenzoyl-N-cinnamoyltaxol Taxus x media Rehd. 879.94 [C@@]12([C@@H]([C@]3([C@@H](C[C@@H]1O)OC3)OC(=O)C)[C@@H]([C@]1(C(C(=C([C@H](C1)OC(=O)[C@@H](C(NC(=O)/C=C\c1ccccc1)c1ccccc1)O)C)[C@H](C2=O)OC(=O)C)(C)C)O)OC(=O)c1ccccc1)C
40 HB00040 Phytochemical N-Debenzoyl-N-(2-methylbutyryl)taxol Taxus x media Rehd. 833.92 [C@@]12([C@@H]([C@]3([C@@H](C[C@@H]1O)OC3)OC(=O)C)[C@@H]([C@]1(C(C(=C([C@H](C1)OC(=O)[C@@H](C(NC(=O)C(C)CC)c1ccccc1)O)C)[C@H](C2=O)OC(=O)C)(C)C)O)OC(=O)c1ccccc1)C
41 HB00041 Phytochemical 2-Debenzoyl-2-tigloyltaxol Taxus x media Rehd. 831.90 [C@@]12([C@@H]([C@]3([C@@H](C[C@@H]1O)OC3)OC(=O)C)[C@@H]([C@]1(C(C(=C([C@H](C1)OC(=O)[C@@H](C(NC(=O)c1ccccc1)c1ccccc1)O)C)[C@H](C2=O)OC(=O)C)(C)C)O)OC(=O)/C(=C/C)/C)C
42 HB00042 Phytochemical N-Debenzoyl-N-butanoyal-10-deacetylpaclitaxel Taxus baccata 777.85 [C@@]12([C@@H]([C@]3([C@@H](C[C@@H]1O)OC3)OC(=O)C)[C@@H]([C@]1(C(C(=C([C@H](C1)OC(=O)[C@@H](C(NC(=O)CCC)c1ccccc1)O)C)[C@H](C2=O)O)(C)C)O)OC(=O)c1ccccc1)C
43 HB00043 Phytochemical 10-Deactyltaxuyunnanine A Taxus yunnanensis Cheng et L. K. Fu 805.91 [C@@]12([C@@H]([C@]3([C@@H](C[C@@H]1O)OC3)OC(=O)C)[C@@H]([C@]1(C(C(=C([C@H](C1)OC(=O)[C@@H](C(NC(=O)CCCCC)c1ccccc1)O)C)[C@H](C2=O)O)(C)C)O)OC(=O)c1ccccc1)C
44 HB00044 Phytochemical 19-Hydroxybaccatin III Taxus baccata, Taxus wallichiana Zucc., Taxus yunnanensis Cheng et L. K. Fu 601.62 [C@@]12([C@@H]([C@]3([C@@H](C[C@@H]1O)OC3)OC(=O)C)[C@@H]([C@]1(C(C(=C(C)[C@H]([CH]1)O)[C@H](C2=O)OC(=O)C)(C)C)O)OC(=O)c1ccccc1)CO
45 HB00045 Phytochemical 1-Dehydroxybaccatin III Taxus yunnanensis Cheng et L. K. Fu 569.62 [C@@]12([C@@H]([C@]3([C@@H](C[C@@H]1O)OC3)OC(=O)C)[C@@H]([C@H]1C(C(=C([C@H]([CH]1)O)C)[C@H](C2=O)OC(=O)C)(C)C)OC(=O)c1ccccc1)C
46 HB00046 Phytochemical 1beta-Dehydroxy-4alpha-deacetylbaccatin IV Taxus mAlrei (Lemee et Levi.) S. Y. Hu 593.64 [C@@]12([C@@H]([C@]3([C@@H](C[C@@H]1OC(=O)C)OC3)O)[C@@H]([C@H]1C(C(=C([C@H]([CH]1)OC(=O)C)C)[C@H]([C@@H]2OC(=O)C)OC(=O)C)(C)C)OC(=O)C)C
47 HB00047 Phytochemical 9-Deacetylbaccatin VI Taxus yunnanensis Cheng et L. K. Fu 671.71 [C@@]12([C@@H]([C@]3([C@@H](C[C@@H]1OC(=O)C)OC3)OC(=O)C)[C@@H]([C@]1(C(C(=C([C@H]([CH]1)OC(=O)C)C)[C@H]([C@H]2O)OC(=O)C)(C)C)O)OC(=O)c1ccccc1)C
48 HB00048 Phytochemical 10-Deacetylbaccatin VI Taxus yunnanensis Cheng et L. K. Fu 671.71 [C@@]12([C@@H]([C@]3([C@@H](C[C@@H]1OC(=O)C)OC3)OC(=O)C)[C@@H]([C@]1(C(C(=C([C@H]([CH]1)OC(=O)C)C)[C@H]([C@H]2OC(=O)C)O)(C)C)O)OC(=O)c1ccccc1)C
49 HB00049 Phytochemical 1beta-Dehydroxybaccatin IV Taxus media 635.68 [C@@]12([C@@H]([C@]3([C@@H](C[C@@H]1OC(=O)C)OC3)OC(=O)C)[C@@H]([C@H]1C(C(=C([C@H]([CH]1)OC(=O)C)C)[C@H]([C@H]2OC(=O)C)OC(=O)C)(C)C)OC(=O)C)C
50 HB00050 Phytochemical 1beta-Dehydroxybaccatin VI Taxus media 697.75 [C@@]12([C@@H]([C@]3([C@@H](C[C@@H]1OC(=O)C)OC3)OC(=O)C)[C@@H]([C@H]1C(C(=C([C@H]([CH]1)OC(=O)C)C)[C@H]([C@H]2OC(=O)C)OC(=O)C)(C)C)OC(=O)c1ccccc1)C
51 HB00051 Phytochemical 10-Deactyltaxol Taxus baccata, Taxus wallichiana Zucc. 811.87 [C@@]12([C@@H]([C@]3([C@@H](C[C@H]1O)OC3)OC(=O)C)[C@@H]([C@]1(C(C(=C([C@H](C1)OC(=O)[C@@H](C(NC(=O)c1ccccc1)c1ccccc1)O)C)[C@H](C2=O)O)(C)C)O)OC(=O)c1ccccc1)C
52 HB00052 Phytochemical 10-Deacetyl-10-oxo-7-epitaxol Taxus brevifolia Nutt. 809.85 [C@@]12([C@@H]([C@]3([C@@H](C[C@H]1O)OC3)OC(=O)C)[C@@H]([C@]1(C(C(=C([C@H](C1)OC(=O)[C@@H](C(NC(=O)c1ccccc1)c1ccccc1)O)C)C(=O)C2=O)(C)C)O)OC(=O)c1ccccc1)C
53 HB00053 Phytochemical 10-Deacetyl-10-oxo-7-epitaxuyunnanine A Taxus yunnanensis Cheng et L. K. Fu 803.89 [C@@]12([C@@H]([C@]3([C@@H](C[C@H]1O)OC3)OC(=O)C)[C@@H]([C@]1(C(C(=C([C@H](C1)OC(=O)[C@@H](C(NC(=O)CCCCC)c1ccccc1)O)C)C(=O)C2=O)(C)C)O)OC(=O)c1ccccc1)C
54 HB00054 Phytochemical 2?-Acetoxy-4?-hydroxy-6?-angeloyloxy-10?-cinnamoyloxy-dauc- 8-ene Daucus carota L. 524.65 [C@@]12([C@@H]([C@H](CC(=C[C@@H]1OC(=O)/C=C/c1ccccc1)C)OC(=O)/C(=C\C)/C)[C@@](C[C@@H]2OC(=O)C)(C(C)C)O)C
55 HB00055 Phytochemical 2?-Acetoxy-4?-hydroxy-6?-p-hydroxybenzoyloxy-10?-benzoyloxy-dauc-8-ene Daucus carota L. 536.61 [C@@]12([C@@H]([C@H](CC(=C[C@@H]1OC(=O)c1ccccc1)C)OC(=O)c1ccc(cc1)O)[C@@](C[C@@H]2OC(=O)C)(C(C)C)O)C
56 HB00056 Phytochemical 5?-O-(3'-Dimethylamino-3'-phenylpropionyl) taxinine M Taxus wallichiana Zucc. 861.93 [C@@]12([C@@H](C(=C)[C@@H](C[C@@H]1OC(=O)C)OC(=O)C[C@@H](c1ccccc1)N(C)C)[C@@H]([C@@H]1CC(=O)[C@]3([C@]([C@H]([C@H]2OC(=O)C)OC(=O)C)([C@@]1(CO3)C)O)C)OC(=O)C)COC(=O)c1ccccc1
57 HB00057 Phytochemical 5?-Cinnamoyloxy-7?-hydroxy-9?,10?,13?-triacetoxytaxa-4(20),11-diene Taxus mAlrei (Lemee et Levi.) S. Y. Hu 608.72 [C@@]12([C@@H](C(=C)[C@H](C[C@@H]1O)OC(=O)/C=C/c1ccccc1)C[C@@H]1C[C@@H](C(=C([C@H]([C@@H]2OC(=O)C)OC(=O)C)C1(C)C)C)OC(=O)C)C
58 HB00058 Phytochemical 2-Deacetoxy-7,9-dideacetyltaxinine J Taxus chinensis, Taxus yunnanensis Cheng et L. K. Fu 566.68 [C@@]12([C@@H](C(=C)[C@H](C[C@@H]1O)OC(=O)/C=C\c1ccccc1)CC1C(C(=C([C@H](C1)OC(=O)C)C)[C@H]([C@@H]2O)OC(=O)C)(C)C)C
59 HB00059 Phytochemical 7beta-Deacetylaustrospicatine Austrotaxus spicata 709.87 [C@@]12([C@@H](C(=C)[C@H](C[C@@H]1O)OC(=O)[C@@H](C(N(C)C)c1ccccc1)OC(=C)C)CC1C(C(=C([C@H](C1)OC(=O)C)C)[C@H]([C@@H]2OC(=O)C)OC(=O)C)(C)C)C
60 HB00060 Phytochemical ecinnamoyl-1-hydroxy-taxchinin J Taxus baccata 594.65 [C@@]12([C@@H](C(=C)[C@H](C[C@@H]1OC(=O)C)O)[C@@H]([C@]1(C(C(=C([C@H](C1)OC(=O)C)C)[C@H]([C@@H]2OC(=O)C)OC(=O)C)(C)C)O)OC(=O)C)C
61 HB00061 Phytochemical 5alpha-Decinnamoyltaxagifine Taxus chinensis 566.59 [C@@]12([C@@H](C(=C)[C@H](C[C@@H]1OC(=O)C)O)[C@@H]([C@H]1[C@]3([C@@]([C@H]([C@@H]2OC(=O)C)OC(=O)C)([C@](C(=O)C1)(C)OC3)O)C)OC(=O)C)C
62 HB00062 Phytochemical 5-Decinnamoyl-11-acetyl-19-hydroxyl taxagifine Taxus yunnanensis Cheng et L. K. Fu 624.63 [C@@]12([C@@H](C(=C)[C@H](C[C@@H]1OC(=O)C)O)[C@@H]([C@H]1[C@]3([C@@]([C@H]([C@@H]2OC(=O)C)OC(=O)C)([C@](C(=O)C1)(C)OC3)OC(=O)C)C)OC(=O)C)CO
63 HB00063 Phytochemical 2alpha-Deacetyl-5alpha-decinnamoyltaxagifine Taxus chinensis 508.56 [C@@]12([C@@H](C(=C)[C@H](C[C@@H]1OC(=O)C)O)[C@@H]([C@H]1[C@]3(C([C@H]([C@@H]2OC(=O)C)OC(=O)C)[C@](C(=O)C1)(C)OC3)C)O)C
64 HB00064 Phytochemical 2alpha,5alpha-Dihydroxy-7beta,9alpha,10beta,13alpha-tetraacetoxy-4(20),11-taxadiene Austrotaxus spicata 536.61 [C@@]12([C@@H](C(=C)[C@H](C[C@@H]1OC(=O)C)O)[C@@H](C1C(C(=C([C@H](C1)OC(=O)C)C)[C@H]([C@@H]2OC(=O)C)OC(=O)C)(C)C)O)C
65 HB00065 Phytochemical Decinnamol taxinine J Taxus chinensis, Austrotaxus spicata, Austrotaxus spicata, Taxus brevifolia Nutt. 578.65 [C@@]12([C@@H](C(=C)[C@H](C[C@@H]1OC(=O)C)O)[C@@H](C1C(C(=C([C@H](C1)OC(=O)C)C)[C@H]([C@@H]2OC(=O)C)OC(=O)C)(C)C)OC(=O)C)C
66 HB00066 Phytochemical 2-Deacetoxy-5-decinnamoyl taxinin J Taxus baccata, Taxus wallichiana Zucc., Taxus yunnanensis Cheng et L. K. Fu 520.61 [C@@]12([C@@H](C(=C)[C@H](C[C@@H]1OC(=O)C)O)CC1C(C(=C([C@H](C1)OC(=O)C)C)[C@H]([C@@H]2OC(=O)C)OC(=O)C)(C)C)C
67 HB00067 Phytochemical 10-Deactyl taxinine B Taxus cuspidata Sieb. et Zucc. 622.70 [C@@]12([C@@H](C(=C)[C@H](C[C@@H]1OC(=O)C)OC(=O)/C=C\c1ccccc1)[C@@H](C1C(C(=C(C(=O)C1)C)[C@H]([C@@H]2OC(=O)C)O)(C)C)OC(=O)C)C
68 HB00068 Phytochemical 2-Deacetoxytaxinine J Taxus mAlrei (Lemee et Levi.) S. Y. Hu, Taxus mAlrei (Lemee et Levi.) S. Y. Hu, Taxus cuspidata Sieb. et Zucc., Taxus yunnanensis Cheng et L. K. Fu, Taxus yunnanensis Cheng et L. K. Fu 650.76 [C@@]12([C@@H](C(=C)[C@H](C[C@@H]1OC(=O)C)OC(=O)/C=C\c1ccccc1)CC1C(C(=C([C@H](C1)OC(=O)C)C)[C@H]([C@@H]2OC(=O)C)OC(=O)C)(C)C)C
69 HB00069 Phytochemical 2-Deacetoxytaxinine B Taxus wallichiana Zucc. 606.70 [C@@]12([C@@H](C(=C)[C@H](C[C@@H]1OC(=O)C)OC(=O)/C=C\c1ccccc1)CC1C(C(=C(C(=O)C1)C)[C@H]([C@@H]2OC(=O)C)OC(=O)C)(C)C)C
70 HB00070 Phytochemical 2'-Deacetylaustrotaxines Austrotaxus spicata 725.82 [C@@]12([C@@H](C(=C)[C@H](C[C@@H]1OC(=O)C)OC(=O)[C@@H]([C@H](N(C)C)c1ccccc1)O)C[C@H]1C(C(=C([C@H]([C@@H]1OC(=O)C)OC(=O)C)C)C(=O)[C@@H]2OC(=O)C)(C)C)C
71 HB00071 Phytochemical 2'beta-Deacetylaustrospicatine Austrotaxus spicata 711.84 [C@@]12([C@@H](C(=C)[C@H](C[C@@H]1OC(=O)C)OC(=O)[C@@H](C(N(C)C)c1ccccc1)O)CC1C(C(=C([C@H](C1)OC(=O)C)C)[C@H]([C@@H]2OC(=O)C)OC(=O)C)(C)C)C
72 HB00072 Phytochemical 19-Debenzoyl-19-acetyltaxinine Taxus wallichiana Zucc. 624.63 [C@@]12([C@@H](C(=C)[C@H](C[C@@H]1OC(=O)C)OC(=O)C)[C@@H](C1[C@]3([C@@]([C@H]([C@@H]2OC(=O)C)OC(=O)C)([C@](C(=O)C1)(C)OC3)O)C)OC(=O)C)CO
73 HB00073 Phytochemical 2'-Deacetoxylaustrotaxine Austrotaxus spicata 709.82 [C@@]12([C@@H](C(=C)[C@H](C[C@@H]1OC(=O)C)OC(=O)C[C@@H](c1ccccc1)N(C)C)C[C@H]1C(C(=C([C@H]([C@@H]1OC(=O)C)OC(=O)C)C)C(=O)[C@@H]2OC(=O)C)(C)C)C
74 HB00074 Phytochemical 2'beta-Deacetoxy austropicatione Austrotaxus spicata, Taxus wallichiana Zucc. 695.84 [C@@]12([C@@H](C(=C)[C@H](C[C@@H]1OC(=O)C)OC(=O)CC(c1ccccc1)N(C)C)CC1C(C(=C([C@H](C1)OC(=O)C)C)[C@H]([C@@H]2OC(=O)C)OC(=O)C)(C)C)C
75 HB00075 Phytochemical 2-Deacetyldecinnamoyltaxinine E Taxus baccata, Taxus baccata, Taxus chinensis 478.58 [C@@]12([C@@H](C(=C)[C@H](CC1)O)[C@@H](C1C(C(=C([C@H](C1)OC(=O)C)C)[C@H]([C@@H]2OC(=O)C)OC(=O)C)(C)C)O)C
76 HB00076 Phytochemical Decinnamoyltaxinine E Taxus chinensis 520.61 [C@@]12([C@@H](C(=C)[C@H](CC1)O)[C@@H](C1C(C(=C([C@H](C1)OC(=O)C)C)[C@H]([C@@H]2OC(=O)C)OC(=O)C)(C)C)OC(=O)C)C
77 HB00077 Phytochemical 7-Debenzoyloxy-10-deacetyl-brevifoliol (I) Taxus wallichiana Zucc. 394.50 [C@@]12([C@@H](C(=C)[C@H](CC1)O)C[C@]1(C(C(=C([C@H](C1)O)C)[C@H]([C@@H]2OC(=O)C)O)(C)C)O)C
78 HB00078 Phytochemical 5?-Cinnamoyloxy-10?-hydroxy-2?,9?,13?-triacetoxytaxa-4(20),11-diene Taxus chinensis 608.72 [C@@]12([C@@H](C(=C)[C@H](CC1)OC(=O)/C=C/c1ccccc1)[C@@H]([C@@H]1C[C@@H](C(=C([C@H]([C@@H]2OC(=O)C)O)C1(C)C)C)OC(=O)C)OC(=O)C)C
79 HB00079 Phytochemical 5?-Cinnamoyloxy-2?,13?-dihydroxy-9?,10?-diacetoxy-4(20),11-ta-xadiene Taxus chinensis 566.68 [C@@]12([C@@H](C(=C)[C@H](CC1)OC(=O)/C=C/c1ccccc1)[C@@H]([C@@H]1C[C@@H](C(=C([C@H]([C@@H]2OC(=O)C)OC(=O)C)C1(C)C)C)O)O)C
80 HB00080 Phytochemical 5-Cinnamoyl-9,10-diacetyltaxicin I Taxus baccata 564.67 [C@@]12([C@@H](C(=C)[C@H](CC1)OC(=O)/C=C/c1ccccc1)[C@@H]([C@@H]1CC(=O)C(=C([C@H]([C@@H]2OC(=O)C)OC(=O)C)C1(C)C)C)O)C
81 HB00081 Phytochemical 5?-Cinnamoyloxy-9?,10?,13?-triacetoxytaxa-4(20),11-diene Taxus chinensis, Taxus mAlrei (Lemee et Levi.) S. Y. Hu 592.72 [C@@]12([C@@H](C(=C)[C@H](CC1)OC(=O)/C=C/c1ccccc1)C[C@@H]1C[C@@H](C(=C([C@H]([C@@H]2OC(=O)C)OC(=O)C)C1(C)C)C)OC(=O)C)C
82 HB00082 Phytochemical 2-Deacetoxyl-10-acetoxytaxine B Taxus baccata 567.71 [C@@]12([C@@H](C(=C)[C@H](CC1)OC(=O)CC(c1ccccc1)N(C)C)[C@@H](C1C(C(=C(C(=O)C1)C)[C@H]([C@@H]2O)OC(=O)C)(C)C)O)C
83 HB00083 Phytochemical 2-Deacetoxyl-9-acetoxytaxine B Taxus baccata 567.71 [C@@]12([C@@H](C(=C)[C@H](CC1)OC(=O)CC(c1ccccc1)N(C)C)[C@@H](C1C(C(=C(C(=O)C1)C)[C@H]([C@@H]2OC(=O)C)O)(C)C)O)C
84 HB00084 Phytochemical ginkgolide,b Ginkgo Biloba 424.40 [C@@]12([C@@H](C(=O)O[C@H]1[C@H](C13[C@]42O[C@H]2C1([C@@H](C[C@@H]3OC4=O)C(C)(C)C)[C@H](C(=O)O2)O)O)C)O
85 HB00085 Phytochemical 15-Isopimaren-3?,8?-diol Platycladus orientalis 306.48 [C@@]12([C@@H](CC[C@@]3([C@@H]1CC[C@@](C3)(C=C)C)O)C([C@H](CC2)O)(C)C)C
86 HB00086 Phytochemical Pulsatilloside A Pulsatilla chinensis 604.81 [C@@]12([C@@H](CC[C@@]3([C@@H]1CC[C@H]1[C@]3(CC[C@@]3([C@@H]1[C@@H](CC3)C(=C)C)C(=O)O)C)C)[C@]([C@H](CC2)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O)O)O)(C)CO)C
87 HB00087 Phytochemical Isopimaric acid Dracaena cochinchinensis (Lour.) S.C. Chen, Platycladus orientalis 302.45 [C@@]12([C@@H](CC=C3[C@@H]1CC[C@@](C3)(C=C)C)[C@](CCC2)(C)C(=O)O)C
88 HB00088 Phytochemical Dehydroeburicoic acid Fornes officinalis (Vlli. et Fr.) Ames, Poria cocos 468.71 [C@@]12([C@@H](CC=C3C1=CC[C@]1([C@]3(CC[C@@H]1[C@H](C(=O)O)CCC(=C)C(C)C)C)C)C([C@H](CC2)O)(C)C)C
89 HB00089 Phytochemical Isodaucenoic acid Rosa rugosa 234.33 [C@@]12([C@@H](CCC(=CC1)C(=O)O)[C@H](CC2)C(=C)C)C
90 HB00090 Phytochemical Isodaucene Rosa rugosa 204.35 [C@@]12([C@@H](CCC(=CC1)C)[C@H](CC2)C(=C)C)C
91 HB00091 Phytochemical Hydroxyisodaucenal Rosa rugosa 234.33 [C@@]12([C@@H](CCC(=CC1)C=O)[C@](CC2)(C(=C)C)O)C
92 HB00092 Phytochemical Isodaucenal Rosa rugosa 218.34 [C@@]12([C@@H](CCC(=CC1)C=O)[C@H](CC2)C(=C)C)C
93 HB00093 Phytochemical 11-Hydroxy-12-hydroisodaucenal Rosa rugosa 236.35 [C@@]12([C@@H](CCC(=CC1)C=O)[C@H](CC2)C(C)(C)O)C
94 HB00094 Phytochemical Isodaucenol Rosa rugosa 220.35 [C@@]12([C@@H](CCC(=CC1)CO)[C@H](CC2)C(=C)C)C
95 HB00095 Phytochemical 8(14),15-Isopimaradien-3?,19-diol Platycladus orientalis 304.47 [C@@]12([C@@H](CCC3=C[C@](CC[C@H]13)(C=C)C)[C@]([C@H](CC2)O)(C)CO)C
96 HB00096 Phytochemical 8(9),15-Isopimaradien-3?-ol Platycladus orientalis 288.47 [C@@]12([C@@H](CCC3=C1CC[C@@](C3)(C=C)C)C([C@H](CC2)O)(C)C)C
97 HB00097 Phytochemical Staphidine Delphinium staphisagria 606.92 [C@@]12([C@@H]3[C@@]4(CCC1)[C@H]1[C@]5(CC3)CC3([C@@H](C1)CC5[C@H]4N(C2)C)CC[C@@]12[C@@H](O3)[C@]34C(=C[C@H]1C2C4)C1=C(CC3)C2(C[C@H](C1)CN(C2)C)C)C
98 HB00098 Phytochemical alpha-copaene Cinnamomum cassia, Eugenia caryopyhllata, Cinnamomum cassia, Artemisia annua, Artemisia capillaries, Artemisia argyi, Citrus reticulata, Cyperus rotundus L 204.35 [C@@]12([C@@H]3[C@@H]([C@@H](CC1)C(C)C)[C@H]2C(=CC3)C)C
99 HB00099 Phytochemical N-Isopentenyl dendroxine Dendrobium nobile 360.51 [C@@]12([C@@H]3[C@@H]4[C@@H]([C@H]([C@]51[N@@](C[C@H]2CC3)(CCO5)CC=C(C)C)OC4=O)C(C)C)C
100 HB00100 Phytochemical N-Isopentenyl dendrobine Dendrobium nobile 332.50 [C@@]12([C@@H]3[C@@H]4[C@@H]([C@H]([C@H]1[N](C[C@H]2CC3)(C)CC=C(C)C)OC4=O)C(C)C)C

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