Phytochemical database

No Ligand ID Drug Group Generic Name Name of Plant MW Smile Edit
13701 HB13701 Phytochemical lonijaposides,a1 Lonicera japonica 680.05 N(C(=O)C(CCC1(CCCCCCCC1)CC)O)C(C(CC(C(CC/C=C/CCCC1(CCCCCCCCCC1)CC)O)O)O)CO
13702 HB13702 Phytochemical lonijaposides,a3 Lonicera japonica 694.08 N(C(=O)C(CCC1(CCCCCCCCC1)CC)O)C(C(CC(C(CC/C=C/CCC(C1CCCCCCCCCC1)CC)O)O)O)CO
13703 HB13703 Phytochemical lonijaposides,a4 Lonicera japonica 768.24 N(C(=O)C(CCCCCCCCCCCCCCCCC)O)C(CO)C(CC(C(CC/C=C/CCCCCCCCCCCCCCCCCC)O)O)O
13704 HB13704 Phytochemical Sphingomyelin Octopus vulgaris Lamarck, Octopus vulgaris Lamarck, Auricularia auricula (L. ex Hook.) Underw. 973.52 N(C(=O)CCCCCCCCCCCCCCCCCCCCCCC)C(/C=C/CCCCCCCCCCCCCCCCCCCCCCC)C(COP(=O)(O)OCCN(O)(C)(C)C)O
13705 HB13705 Phytochemical N-Methylpaclitaxel Taxus cuspidata Sieb. et Zucc. 867.93 N(C(c1ccccc1)[C@H](C(=O)OC1C(=C2C([C@@](C1)([C@H]([C@H]1[C@](C(=O)[C@@H]2OC(=O)C)([C@H](C[C@@H]2[C@]1(CO2)OC(=O)C)O)C)OC(=O)c1ccccc1)O)(C)C)C)O)(C(=O)c1ccccc1)C
13706 HB13706 Phytochemical gamma-L-Glutamyl-glutamine Bas taurus domesticus Gmelin, Bubalus bubalis Linnaeus 275.26 N(C(CCC(=O)N)C(=O)O)C(=O)CCC(C(=O)O)N
13707 HB13707 Phytochemical Trimethylamine Scorpion (Buthus martensii), Ligusticum chuanxiong 59.11 N(C)(C)C
13708 HB13708 Phytochemical Pachysandrine D Pachysandra terminalis Sieb. et Zucc. 458.72 N(C1C(C2C(CC1)(C1C(CC2)C2C(CC1)(C(CC2)C(C)N(C)C)C)C)OC(=O)C=C(C)C)C
13709 HB13709 Phytochemical gamma- L-Glutamyl-glycine Bas taurus domesticus Gmelin, Bubalus bubalis Linnaeus 204.18 N(CC(=O)O)C(=O)CCC(C(=O)O)N
13710 HB13710 Phytochemical trans-n-feruloyloctopamine Lycium chinense 329.35 N(CC(c1ccc(O)cc1)O)C(=O)/C=C/c1ccc(c(c1)O)OC
13711 HB13711 Phytochemical L-?-Amino-?-oxalylaminobutyric acid Lathyrus latifolius 190.15 N(CC[C@@H](C(=O)O)N)C(=O)C(=O)O
13712 HB13712 Phytochemical dihydro-n-caffeoyltyramine Lycium chinense 301.34 N(CCc1ccc(O)cc1)C(=O)/C=C/C1CC(=C(O)C=C1)O
13713 HB13713 Phytochemical trans-n-caffeoyltyramine Lycium chinense 299.32 N(CCc1ccc(O)cc1)C(=O)/C=C/c1ccc(c(c1)O)O
13714 HB13714 Phytochemical n1,n10-ditigloylspermidine Pharbitis nil 309.45 N(CCCNCCCCNC(=O)/C(=C/C)/C)C(=O)/C(=C/C)/C
13715 HB13715 Phytochemical L-Glutamic acid-?-methylamide Camellia oleifera Abel, Camellia oleifera Abel 190.15 N[C@@H](C[C@@H](C(=O)N)C(=O)O)C(=O)O
13716 HB13716 Phytochemical gamma-Guanidinobutyic acid Hemiechinus dauuricus Sundevall, Hemiechinus auritus Gmelin, Erinaceus europaeus L., Leonurus heterophyllus Sweet, Trichosanthes cucumeroides (Ser.) Maxim. 145.16 N=C(NCCCC(=O)O)N
13717 HB13717 Phytochemical 4-Guanidino-1-butanol Leonurus heterophyllus Sweet, Leonurus japonicus 131.18 N=C(NCCCCO)N
13718 HB13718 Phytochemical Valerine Valeriana officinalis L. 157.21 N1([C@@H]2CC(CC1C[C@H]2O)O)C
13719 HB13719 Phytochemical Adiantifoline Thalictrum minus var. adiantifolium, Thalictrum honanenae W.T. Wang et S.H. Wang, Thalictrum honanenae W.T. Wang et S.H. Wang 712.83 N1([C@H](c2c(CC1)cc(c(c2)OC)OC)c1cc(c(cc1Oc1cc2c(cc1OC)c1c3C(C2)N(CCc3c(c(c1OC)OC)OC)C)OC)OC)C
13720 HB13720 Phytochemical Belladonnine Atropa belladonna, Atropa belladonna, PhysochlAlna alAlca, Hyoscyamus niger L., Hyoscyamus niger L. 542.71 N1([C@H]2CC(CC1CC2)OC(=O)[C@@]1(CC[C@@H](c2c1cccc2)C(=O)OC1CC2N(C(C1)CC2)C)c1ccccc1)C
13721 HB13721 Phytochemical pipernonaline Piper longum, Piper longum 313.39 N1(C(=O)/C=C/CC/C=C/c2cc3c(cc2)OCO3)CCCCC1
13722 HB13722 Phytochemical Caffeine Ilex cornuta Lindl., Camellia sinensis O. Ktze., Firmiana simplex (L.) W. F. Wight 194.19 n1(c(=O)n(c2c(c1=O)n(cn2)C)C)C
13723 HB13723 Phytochemical Theophylline Camellia sinensis O. Ktze. 180.16 n1(c(=O)n(c2c(c1=O)nc[nH]2)C)C
13724 HB13724 Phytochemical N-Methyl-corypalline Nelumbo nucifera Gaertn. 207.27 N1(CCc2c(C1)cc(c(c2)OC)OC)C
13725 HB13725 Phytochemical N-Methyl-1-methyl-corypalline Nelumbo nucifera Gaertn. 207.27 N1(CCc2c(C1C)cc(c(c2)OC)O)C
13726 HB13726 Phytochemical Acutifolidine Thalictrum acutifolium (Hand.-Mazz.) Boivin 371.43 N1(CCc2c3[C@@H]1Cc1c(c3c(c(c2)O)OC)cc(c(c1OC)OC)OC)C
13727 HB13727 Phytochemical 3-Epifagomine Morus alba 147.17 N1[C@@H]([C@H]([C@H](CC1)O)O)CO
13728 HB13728 Phytochemical L-Prolyl-L-valine anhydride Pinellia pedatisecta Schott 210.27 N1[C@@H](C(=O)N2[C@](C1=O)(CCC2)C)C(C)C
13729 HB13729 Phytochemical Echinatine N-oxide Cynoglossum officinale L. 315.36 N12(=O)[C@@H]([C@H](CC1)O)C(=CC2)COC(=O)[C@@]([C@H](C)O)(C(C)C)O
13730 HB13730 Phytochemical Indicine Heliotropium indicum L. 299.36 N12[C@@H]([C@@H](CC1)O)C(=CC2)COC(=O)[C@]([C@H](O)C)(O)C(C)C
13731 HB13731 Phytochemical Europine Heliotropium europaeum, Heliotropium europaeum, Heliotropium rotundifolium 329.39 N12[C@@H]([C@H](CC1)O)C(=CC2)COC(=O)[C@@](C(C)(O)C)(O)[C@H](C)OC
13732 HB13732 Phytochemical protostemonine Stemona japonica, Stemona sessilifolia, Stemona sessilifolia, Stemona tuberosa 417.50 N12[C@H]([C@@H]3[C@@H](CCC1)O/C(=C\1/OC(=O)C(=C1OC)C)/[C@H]3C)CC[C@H]2[C@H]1OC(=O)[C@H](C1)C
13733 HB13733 Phytochemical dianthins,f Dianthus superbus 547.65 N12[C@H](C(=O)NCC(=O)N[C@H](C(=O)NC(C(=O)N[C@@H](Cc3ccccc3)C2=O)C(C)C)Cc2ccccc2)CCC1
13734 HB13734 Phytochemical Thermopsamine Thermopsis lanceolata R. Br. 250.38 N12[C@H](C3CN4C(C(C1)C3)CC(CC4)O)CCCC2
13735 HB13735 Phytochemical Thermopsine Thermopsis lanceolata R. Br., Thermopsis alpina Ledeb., Thermopsis lupinoides (L.) Link. 244.33 N12C(C3Cn4c(C(C1)C3)cccc4=O)CCCC2
13736 HB13736 Phytochemical dichotomin,h Stellaria dichotoma 902.09 N12C(CCC1)C(=O)NC(C(C)O)C(=O)NC(Cc1ccccc1)C(=O)NC(C(=O)N1C(CCC1)C(=O)CC(C(=O)NC(C(=O)N[C@H](C2=O)C)C(CC)C)CC(C)C)Cc1ccc(cc1)O
13737 HB13737 Phytochemical dichotomin,i Stellaria dichotoma 944.17 N12C(CCC1)C(=O)NC(C(C)O)C(=O)NC(Cc1ccccc1)C(=O)NC(C(=O)N1C(CCC1)C(=O)CC(C(=O)NC(C(=O)N[C@H](C2=O)CC(C)C)C(CC)C)CC(C)C)Cc1ccc(cc1)O
13738 HB13738 Phytochemical Baptifoline Sophora flavescens Alt. 260.33 n12CC3C4N(CC(c1cccc2=O)C3)CCC(C4)O
13739 HB13739 Phytochemical Ergothioneine Claviceps purpurea (Fr.) Tul. 331.28 n1c([nH]cc1CC(C(=O)[OH+191])[N+937](C)(C)C)S
13740 HB13740 Phytochemical ?etalamic acid Beta vulgaris 211.17 N1C(=C/C(=C/C=O)/C[C@H]1C(=O)O)C(=O)O
13741 HB13741 Phytochemical Creatinine Agaricus campestris L. ex Fr., Homo sapiens L. 113.12 N1C(=N)N(CC1=O)C
13742 HB13742 Phytochemical Vicine Vicia sativa L., Vicia faba L., Momordica charantia L. 306.27 N1C(=NC(C(C1=O)OC1[C@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)N)N
13743 HB13743 Phytochemical dianthins,e Dianthus superbus 600.71 N1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(NC(=O)CNC(=O)[C@H]2N(C(=O)[C@@H]1C(C)CC)CCC2)C(C)C)Cc1ccccc1)CO
13744 HB13744 Phytochemical Cyclo-(Ala-Ala) Psammosilene tunicoides W.C.Wu et C.Y.Wu 142.16 N1C(=O)[C@H](NC(=O)[C@H]1C)C
13745 HB13745 Phytochemical Crotonoside Croton tiglium 283.24 n1c(=O)[nH]c2c(c1N)ncn2[C@@H]1[C@H]([C@H]([C@@H](O1)CO)O)O
13746 HB13746 Phytochemical isatin Isatis indigotica, Isatis indigotica, Isatis indigotica, Isatis indigotica 147.13 N1C(=O)C(=O)c2ccccc12
13747 HB13747 Phytochemical Allantoin Triticum aestivum L., Cynoglossum officinale L., Moschus sifanicus Przewalski, Moschus berezovskii Flerov., Moschus moschiferus L., Cynoglossum officinale L., Dioscorea opposita, Aristolochia debilis Sieb. et Zucc., Aristolochia debilis Sieb. et Zucc., Ar 158.12 N1C(=O)C(NC1=O)NC(=O)N
13748 HB13748 Phytochemical dianthins,c Dianthus superbus 676.80 N1C(=O)CNC(=O)[C@H]2N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1C(C)CC)C(C)C)Cc1ccc(cc1)O)Cc1ccccc1)CCC2
13749 HB13749 Phytochemical Cytidylic acid B Lycium chinense Mill. 323.20 n1c(=O)n(ccc1N)C1OC(C(C1O)OP(=O)(O)O)CO
13750 HB13750 Phytochemical Cytidylic acid A Lycium chinense Mill. 323.20 n1c(=O)n(ccc1N)C1OC(C(C1OP(=O)(O)O)O)CO
13751 HB13751 Phytochemical Uric acid Homo sapiens L. 168.11 N1C(=O)NC2C(=NC(=O)N2)C1=O
13752 HB13752 Phytochemical L-Histidine Pinellia ternata, Trigonella foenum-graecum L. 155.16 n1c(c[nH]c1)C[C@@H](C(=O)O)N
13753 HB13753 Phytochemical Gentianidine Menyanthes trifoliata L., Gentiana rigescens Franch. 163.17 n1c(cc2c(c1)C(=O)OCC2)C
13754 HB13754 Phytochemical AMG-1 Armillariella mellea (Vahl ex Fr.) Quel. 374.35 n1c(ccc(c1)O)CNc1ncnc2c1ncn2C1[C@@H]([C@@H]([C@H](O1)CO)O)O
13755 HB13755 Phytochemical 2,6-dimethyl,quinoline Peucedanum praeruptorum 157.21 n1c(ccc2cc(ccc12)C)C
13756 HB13756 Phytochemical 2-Amino-6hydroxypteridine Formica Fusca L. 163.14 n1c(nc2c(c1)nc(cn2)O)N
13757 HB13757 Phytochemical Isoguanine Croton tiglium 151.13 n1c(nc2c(c1N)nc[nH]2)O
13758 HB13758 Phytochemical Folinic acid Morus alba, Agaricus campestris L. ex Fr., Vicia faba L., Taraxacum officinale Weber, Honey, Angelica sinensis, Illicium verum, Sesamum indicum, Mangifera indica L., Trifolium pratense L., Hippophae rhamnoides L., Glycine max (L.) Merr., Glycine max (L.) 473.44 n1c(nc2c(c1O)N(CC(N2)CNc1ccc(C(=O)NC(C(=O)O)CCC(=O)O)cc1)C=O)N
13759 HB13759 Phytochemical Biopterin Carassius auratus (L.), Rana nigromaculata Hallowell, Formica Fusca L., Apis cerana Fabricius 237.22 n1c(nc2c(c1O)nc(cn2)C(C(O)C)O)N
13760 HB13760 Phytochemical Allithiamine Allium sativum L., Allium sativum 354.49 n1c(ncc(c1N)CN(C=O)/C(=C(/CCO)\SSCC=C)/C)C
13761 HB13761 Phytochemical 4,(3h)-quinazolinone Isatis indigotica, Isatis indigotica 146.15 n1c[nH]c(=O)c2ccccc12
13762 HB13762 Phytochemical Urocanic acid Coprinus atramentarius (Bull.) Fr. 138.12 n1c[nH]cc1/C=C/C(=O)O
13763 HB13763 Phytochemical 2beta,3beta-dihydroxynortropane Morus alba, Morus alba, Morus alba 141.17 N1C2[C@@H](C([CH]C1[CH]C2)O)O
13764 HB13764 Phytochemical Pachysantermine A Pachysandra terminalis Sieb. et Zucc. 456.70 N1C2[C@@H](C3[C@](CC2)(C2C(CC3)C3[C@](CC2)(C(CC3)C(C)N(C)C)C)C)OC(=O)C(=C(C)C)C1
13765 HB13765 Phytochemical 2alpha,3beta-dihydroxynortropane Morus alba, Morus alba, Morus alba 141.17 N1C2[C@H](C([CH]C1[CH]C2)O)O
13766 HB13766 Phytochemical 2alpha,3beta,6exo-trihydroxynortropane Morus alba, Morus alba, Morus alba 158.18 N1C2[C@H](C([CH]C1C(C2)O)O)O
13767 HB13767 Phytochemical 2alpha,3beta,4alpha-rihydroxynortropane Morus alba, Morus alba, Morus alba 158.18 N1C2[C@H](C(C(C1[CH]C2)O)O)O
13768 HB13768 Phytochemical Lentysine Lentinus edodes (Berk.) Sing. 253.22 n1c2c(c(nc1)N)ncn2CC(C(C(=O)O)O)O
13769 HB13769 Phytochemical 10h-indolo,[3,2-b],quinoline Isatis indigotica, Isatis indigotica 218.25 n1c2c(cc3ccccc13)[nH]c1c2cccc1
13770 HB13770 Phytochemical Epiguaipyridine Pogostemon cablin 215.33 n1c2c(ccc1C)[C@@H](CC[C@H](C2)C(=C)C)C
13771 HB13771 Phytochemical nor-psi-tropine Morus alba, Morus alba, Morus alba 125.17 N1C2CC([CH]C1[CH]C2)O
13772 HB13772 Phytochemical 3beta,6exo-dihydroxynortropane Morus alba, Morus alba, Morus alba 142.18 N1C2CC([CH]C1C(C2)O)O
13773 HB13773 Phytochemical 2,3-dihydropyrrolo,[2,1-b],quinazolin-9(1h)-one Isatis indigotica, Isatis indigotica 186.21 n1c2n(c(=O)c3ccccc13)CCC2
13774 HB13774 Phytochemical Histamine Trifolium repens L., Cyprinus carpio L., Centipede (Scolopendra subspinipes), Musa paradisiaca L. var. sapientum O. Ktze., Solanum melongena L., Urtica dioica L., Claviceps purpurea (Fr.) Tul., Cossypium herbaceum L., Spinacia oleracea L., Chelidonium maj 111.15 n1cc([nH]c1)CCN
13775 HB13775 Phytochemical pseudostellarin B Pseudostellaria heterophylla 682.77 N1CC(=O)NCC(=O)NCC(=O)N2C(CCC2)C(=O)N2[C@@H](CCC2)C(=O)N[C@H](Cc2ccccc2)C(=O)NCC(=O)N[C@H](C1=O)C(CC)C
13776 HB13776 Phytochemical Gentianine Centiana tibetica King, Trigonella foenum-graecum L., Gentiana crassicaulis, Gentiana scabra Bge., Menyanthes trifoliata L., Gentiana rigescens Franch., Gentiana algida Pall. 175.18 n1cc(c2c(c1)C(=O)OCC2)C=C
13777 HB13777 Phytochemical Gentialutine Centiana tibetica King, Menyanthes trifoliata L., Camptotheca acuminata Decne. 149.19 n1ccc(c(c1)C=C)CCO
13778 HB13778 Phytochemical Gentiatibetine Menyanthes trifoliata L. 165.19 n1ccc2c(c1C)C(OCC2)O
13779 HB13779 Phytochemical 12-O-Nicotinoylisolineolone Adonis amurensis Reg. et Radde 469.57 n1cccc(c1)C(=O)OC1CC2[C@](CC=C3[C@@]2(CC[C@@H](C3)O)C)(O)[C@@]2([C@]1([C@H](CC2)C(=O)C)C)O
13780 HB13780 Phytochemical Nicotinoylisoramanon Adonis amurensis Reg. et Radde 453.57 n1cccc(c1)C(=O)OC1CC2C(CC=C3[C@@]2(CC[C@@H](C3)O)C)[C@@]2([C@]1([C@H](CC2)C(=O)C)C)O
13781 HB13781 Phytochemical (+)-Ammodendrine Sophora franchetiana 208.30 N1CCCC[C@@H]1C1=CN(CCC1)C(=O)C
13782 HB13782 Phytochemical Pyrrolidine Daucus carota L. 71.12 N1CCCC1
13783 HB13783 Phytochemical 5,8-dimethyl-quinoline Houttuynia cordata 157.21 n1cccc2c(ccc(c12)C)C
13784 HB13784 Phytochemical 3-(2-carboxyphenyl)-4(3h)-quinazolinone Isatis indigotica 266.25 n1cn(c(=O)c2ccccc12)c1c(cccc1)C(=O)O
13785 HB13785 Phytochemical 3-(2-hydroxyphenyl)-4(3h)-quinazolinone Isatis indigotica 238.24 n1cn(c(=O)c2ccccc12)c1c(cccc1)O
13786 HB13786 Phytochemical Triacanthine Gleditsia sinensis 203.24 n1cn(c2c(c1N)ncn2)CC=C(C)C
13787 HB13787 Phytochemical Purine Arachis hypogaea L. 120.11 n1cnc2c(c1)[nH]cn2
13788 HB13788 Phytochemical adenine Allium tuberosum Rottl, Nelumbo nucifera Gaertn, Nelumbo nucifera 135.13 n1cnc2c(c1N)[nH]cn2
13789 HB13789 Phytochemical Adenosine lsatis indigotica, Fritillaria anhuiensis S.C. Chen et S.F. Yin, Ilex cornuta Lindl., Catharanthus roseus (L.) G. Don., lsatis indigotica, Verbena officinalis L., Rehmannia glutinosa (Gaertn.) Libosch ex Mey., Allium tuberosum Rottl., Fritillaria verticil 267.24 n1cnc2c(c1N)ncn2C1[C@H]([C@H]([C@@H](O1)CO)O)O
13790 HB13790 Phytochemical 5'-Adenosine monophosphate Agaricus campestris L. ex Fr. 347.22 n1cnc2c(c1N)ncn2C1C(C([C@@H](O1)COP(=O)(O)O)O)O
13791 HB13791 Phytochemical Adenosine triphosphate Rana temporaria chensinensis David, Rana plancyi Lataste, Rana amurensis Boulenger, Rana nigromaculata Hallowell, Rana amurensis Boulenger, Rana nigromaculata Hallowell, Panax ginseng C. A. Mey., Panax ginseng C. A. Mey., Cervus nippon Temminck, Cervus el 491.18 n1cnc2c(c1N)ncn2C1C(C([C@@H](O1)COP(=O)(O)OP(=O)(O)P(=O)(O)O)O)O
13792 HB13792 Phytochemical Cordycepin Cordyceps sinensis, Allium cepa L., Cordyceps militaris cultivated 251.24 n1cnc2c(c1N)ncn2C1C(C(CO1)CO)O
13793 HB13793 Phytochemical (2R)-Hydroxy-4-(9-adenyl)butyric acid Lentinus edodes (Berk.) Sing. 237.22 n1cnc2c(c1N)ncn2CCC(C(=O)O)O
13794 HB13794 Phytochemical Zeatin Actinidia chinensis Planch., Cucurbita pepo, Dolichos lablab L., Cannabis sativa, Zea mays 219.24 n1cnc2c(c1NC/C=C(/CO)\C)nc[nH]2
13795 HB13795 Phytochemical Kinetin Isatis indigotica 215.21 n1cnc2c(c1NCc1ccco1)nc[nH]2
13796 HB13796 Phytochemical N6-[?-(Acetylcarbamoyloxy)ethyl] adenosine Cordyceps militaris cultivated 396.36 n1cnc2c(c1NCCOC(=O)NC(=O)C)ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO
13797 HB13797 Phytochemical N6-[beta-(Acetylcarbamoyloxy)ethyl] adenosine Cordyceps militaris cultivated 396.36 n1cnc2c(c1NCCOC(=O)NC(=O)C)ncn2C1O[C@@H]([C@H]([C@H]1O)O)CO
13798 HB13798 Phytochemical 3-Acetyl-5-carbomethoxy-2H-3,4,5,6-tetrahydro-1-oxa-2,3,5,6-tetrazine Curculigo orchioides 190.16 N1ONN(CN1OC(=O)C)C(=O)C
13799 HB13799 Phytochemical L-Arginine Asparagus officinalis L., Asparagus officinalis L., Pinellia ternata, Medicago sativa L., Trigonella foenum-graecum L., Trigonella foenum-graecum L. 174.20 NC(=N)CNCC[C@H](C(=O)O)N
13800 HB13800 Phytochemical Guanidine Bubalus bubalis Linnaeus, Coprinus atramentarius (Bull.) Fr., Coprinus atramentarius (Bull.) Fr., Allolobophora caliginosa trapezoids (Ant. Duges), Allolobophora caliginosa trapezoids (Ant. Duges), Pheretima aspergillum (E. Perrier), Phellodendron chinens 59.07 NC(=N)N

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