Phytochemical database

No Ligand ID Drug Group Generic Name Name of Plant MW Smile Edit
13501 HB13501 Phytochemical n-Tridecane Panax ginseng C. A. Mey., Stellera chamaejasme L, Cynanchum stauntonii, Ligusticum chuanxiong 184.36 CCCCCCCCCCCCC
13502 HB13502 Phytochemical tetradecane Angelica sinensis, Zanthoxylum schinifolium, Cynanchum stauntonii, Panax ginseng C. A. Mey., Ligusticum chuanxiong, Panax notoginseng 198.39 CCCCCCCCCCCCCC
13503 HB13503 Phytochemical n-Pentadecane Panax pseudo-ginseng Wall. var. notoginseng (Burk.) Hoo et Tseng, Magnolia acuminata, Codonopsis pilosula, Panax ginseng C. A. Mey., Panax ginseng C. A. Mey., Asarum heterotropoides F. Schm. var. mandshuricum (Maxim.) Kitag., Asarum heterotropoides F. Sch 212.42 CCCCCCCCCCCCCCC
13504 HB13504 Phytochemical 16-Triacontanol Euphorbia longan (Lour.) Steud. 438.81 CCCCCCCCCCCCCCC(CCCCCCCCCCCCCCC)O
13505 HB13505 Phytochemical hexadecane Panax quinquefolium L., Zanthoxylum schinifolium, Cynanchum stauntonii, Panax ginseng C. A. Mey., Piper longum L., Rosa rugosa, Panax notoginseng 226.44 CCCCCCCCCCCCCCCC
13506 HB13506 Phytochemical L-(-)-alpha-monopalmitin Phytolacca acinosa, Trichosanthes rosthornii, Boswellia carterii 330.50 CCCCCCCCCCCCCCCC(=O)OCC(CO)O
13507 HB13507 Phytochemical Palmitylpterosin C Pteridium aquilinum (l.) Kuhn var. latiusculum (Desv.) Unaerw 472.70 CCCCCCCCCCCCCCCC(=O)OCCc1c(c2c(cc1C)C(C(C2=O)C)O)C
13508 HB13508 Phytochemical Palmitylpterosin A Pteridium aquilinum (l.) Kuhn var. latiusculum (Desv.) Unaerw 486.73 CCCCCCCCCCCCCCCC(=O)OCCc1c(c2c(cc1C)CC(C2=O)(C)CO)C
13509 HB13509 Phytochemical Palmitylpterosin B Pteridium aquilinum (l.) Kuhn var. latiusculum (Desv.) Unaerw 456.70 CCCCCCCCCCCCCCCC(=O)OCCc1c(c2c(cc1C)CC(C2=O)C)C
13510 HB13510 Phytochemical heptadecane Houttuynia cordata, Panax ginseng C. A. Mey., Cynanchum stauntonii, Panax notoginseng 240.47 CCCCCCCCCCCCCCCCC
13511 HB13511 Phytochemical octadecane Houttuynia cordata, Cynanchum stauntonii 254.49 CCCCCCCCCCCCCCCCCC
13512 HB13512 Phytochemical nonadecane Cynanchum stauntonii 268.52 CCCCCCCCCCCCCCCCCCC
13513 HB13513 Phytochemical eicosane Cordyceps sinensis, Panax ginseng C. A. Mey., Cynanchum stauntonii, Panax notoginseng 282.55 CCCCCCCCCCCCCCCCCCCC
13514 HB13514 Phytochemical heneicosane Cynanchum stauntonii, Panax notoginseng 296.57 CCCCCCCCCCCCCCCCCCCCC
13515 HB13515 Phytochemical docosane Cynanchum stauntonii, Panax notoginseng 310.60 CCCCCCCCCCCCCCCCCCCCCC
13516 HB13516 Phytochemical tricosane Houttuynia cordata, Cynanchum stauntonii 324.63 CCCCCCCCCCCCCCCCCCCCCCC
13517 HB13517 Phytochemical tetracosane Cynanchum stauntonii 338.65 CCCCCCCCCCCCCCCCCCCCCCCC
13518 HB13518 Phytochemical Pentacosane Typha angustifolia L., Typha angustifolia L., Typha angustata Bory et Chaub. 352.68 CCCCCCCCCCCCCCCCCCCCCCCCC
13519 HB13519 Phytochemical hexacosane Houttuynia cordata 366.71 CCCCCCCCCCCCCCCCCCCCCCCCCC
13520 HB13520 Phytochemical octacosane Houttuynia cordata, Daphne genkwa 394.76 CCCCCCCCCCCCCCCCCCCCCCCCCCCC
13521 HB13521 Phytochemical 6-Tritriacontanol Typha angustifolia L. 480.89 CCCCCCCCCCCCCCCCCCCCCCCCCCCC(CCCCC)O
13522 HB13522 Phytochemical nonacosane Trichosanthes rosthornii Harms, Carthamus tinctorius, Eucommia ulmoides, Angelica sinensis, Houttuynia cordata, Panax ginseng C. A. Mey., Ephedra intermedia, Agrimonia pilosa, Gardenia jasminoides 408.79 CCCCCCCCCCCCCCCCCCCCCCCCCCCCC
13523 HB13523 Phytochemical dotriacontane Daphne genkwa 450.87 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
13524 HB13524 Phytochemical lacceroic,acid Lobelia chinensis 480.85 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
13525 HB13525 Phytochemical n-Tritriacontane Desmodium styracifolium (Osb.) Merr. 464.89 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
13526 HB13526 Phytochemical n-Dodecyl acetate Formica Fusca L. 228.37 CCCCCCCCCCCCOC(=O)C
13527 HB13527 Phytochemical Undecyl alcohol Formica Fusca L. 172.31 CCCCCCCCCCCO
13528 HB13528 Phytochemical n-Nonanol Zingiber officinale 144.26 CCCCCCCCCO
13529 HB13529 Phytochemical Heptyl ethyl ether Cydonia oblonga Mill. 144.26 CCCCCCCOCC
13530 HB13530 Phytochemical Hexyl amine-1 Claviceps purpurea (Fr.) Tul. 101.19 CCCCCCN
13531 HB13531 Phytochemical Amyl acetate NA 130.19 CCCCCOC(=O)C
13532 HB13532 Phytochemical Amyl butyrate NA 158.24 CCCCCOC(=O)CCC
13533 HB13533 Phytochemical Butyl isothiocyanate Brassica juncea (L.) Czern. et Coss. 115.20 CCCCN=C=S
13534 HB13534 Phytochemical Dibutyl oxalate Panax ginseng C. A. Mey. 202.25 CCCCOC(=O)C(=O)OCCCC
13535 HB13535 Phytochemical Propylamine Viverra zibetha L. 59.11 CCCN
13536 HB13536 Phytochemical Ceryl alcohol Epimedium sagittatum, Zingiber officinale, Angelica dahurica, Ginkgo biloba L. 60.10 CCCO
13537 HB13537 Phytochemical Myricyl palmitate Apis cerana Fabricius 116.16 CCCOC(=O)CC
13538 HB13538 Phytochemical Propane-1-thiol Allium cepa L., Solanum tuberosum, Phaseolus vulgaris L. 76.16 CCCS
13539 HB13539 Phytochemical Methyl propyl disulfide Allium sativum L., Allium sativum, Allium schoenoprasum L., Gardenia florida, Allium schoenoprasum L., Gardenia jasminoides 122.25 CCCSSC
13540 HB13540 Phytochemical Allyl propyl disulfide Allium sativum L., Allium sativum 148.29 CCCSSCC=C
13541 HB13541 Phytochemical Dipropyl disulfide Allium sativum L., Allium sativum 150.31 CCCSSCCC
13542 HB13542 Phytochemical Ethylamine Viverra zibetha L. 45.08 CCN
13543 HB13543 Phytochemical Nonacosanol Ephedra intermedia, Artemisia annua L. 46.07 CCO
13544 HB13544 Phytochemical ethyl-2-methylacetoacetate Phragmites communis Trin 143.18 CCOC(=O)/C=C\N(C)C
13545 HB13545 Phytochemical 1,1-Diethoxy-n-nonane Hippophae rhamnoides L. 216.36 CCOC(CCCCCCCC)OCC
13546 HB13546 Phytochemical 1,1-Diethoxy-n-tetradecane Hippophae rhamnoides L. 286.49 CCOC(CCCCCCCCCCCCC)COC
13547 HB13547 Phytochemical 2,2,2-Triethoxyl-ethanol Panax notoginseng 178.23 CCOC(CO)(OCC)OCC
13548 HB13548 Phytochemical Ethylisopropyl sulfide Zingiber officinale 104.21 CCSC(C)C
13549 HB13549 Phytochemical Diethyl sulfide Zingiber officinale 90.19 CCSCC
13550 HB13550 Phytochemical Methylamine Penaeus orientalis Kishinouye, Penaeus orientalis Kishinouye, Claviceps purpurea (Fr.) Tul., Chelidonium majus L., Chelidonium majus L. 31.06 CN
13551 HB13551 Phytochemical Kurchessine Holarrhena pubescens, Holarrhena antidysenterica Wall., Holarrhena antidysenterica Wall. 372.63 CN([C@H]1CC[C@]2(C(=CCC3C2CC[C@]2(C3CCC2C(C)N(C)C)C)C1)C)C
13552 HB13552 Phytochemical Austrotaxine Austrotaxus spicata 767.86 CN(C)C([C@@H](OC(=O)C)C(=O)OC1C[C@@H]([C@@]2([C@@H](C1=C)C[C@H]1C(C(=C(C([C@@H]1OC(=O)C)OC(=O)C)C)C(=O)[C@@H]2OC(=O)C)(C)C)C)OC(=O)C)c1ccccc1
13553 HB13553 Phytochemical Kurchiline Holarrhena antidysenterica Wall. 359.55 CN(C1C(O)C[C@]2(C(=CCC3C2CC[C@]2(C3CCC2C(=O)C)C)C1)C)C
13554 HB13554 Phytochemical Kurchiphylline Holarrhena antidysenterica Wall. 359.55 CN(C1C(O)CC2(C(=CCC3C2CC[C@]2(C3CC(=O)C2CC)C)C1)C)C
13555 HB13555 Phytochemical Kurchaline Holarrhena antidysenterica Wall. 359.55 CN(C1C(O)CC2(C(=CCC3C2CCC2(C3CC(/C/2=C\C)O)C)C1)C)C
13556 HB13556 Phytochemical N,N-Dimethyl glycine methyl ester Cistanche deserticola 117.15 CN(CC(=O)OC)C
13557 HB13557 Phytochemical Tetramethyl diaminobutane Hyoscyamus niger L. 144.26 CN(CCCCN(C)C)C
13558 HB13558 Phytochemical Solapalmitenine Solanum tripartitum 592.04 CN(CCCCN(CCCCN(C)C)C(=O)/C=C/CCCCCCCCCCCCCCCCCCCCCCC)C
13559 HB13559 Phytochemical Solapalmitine Solanum tripartitum 636.13 CN(CCCCN(CCCCN(C)C)C(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCC)C
13560 HB13560 Phytochemical lobelanidine Lobelia chinensis, Sedum acre 339.47 CN1[C@@H](CCC[C@@H]1C[C@H](c1ccccc1)O)C[C@@H](c1ccccc1)O
13561 HB13561 Phytochemical lobeline Lobelia chinensis 337.46 CN1[C@@H](CCC[C@@H]1CC(=O)c1ccccc1)C[C@@H](c1ccccc1)O
13562 HB13562 Phytochemical lobelanine Lobelia chinensis 335.44 CN1[C@@H](CCC[C@@H]1CC(=O)c1ccccc1)CC(=O)c1ccccc1
13563 HB13563 Phytochemical nicotine Equisetum hiemale, Areca catechu 162.23 CN1C(c2cccnc2)CCC1
13564 HB13564 Phytochemical 6-Methylcodeine Papaver sommiferum L. 313.39 CN1C2Cc3c4C5(CC1)[C@H]2C=C[C@@H](C5Oc4c(cc3)OC)OC
13565 HB13565 Phytochemical 3-Methylamino-L-alanine Cycas circinalis 118.13 CNC[C@@H](C(=O)O)N
13566 HB13566 Phytochemical Pachysandrine C Pachysandra terminalis Sieb. et Zucc. 376.62 CNC1C(C2C(CC1)(C1C(CC2)C2C(CC1)(C(CC2)C(C)N(C)C)C)C)O
13567 HB13567 Phytochemical Kurchiphyllamine Holarrhena antidysenterica Wall. 345.52 CNC1C(O)CC2(C(=CCC3C2CC[C@]2(C3CC(=O)C2CC)C)C1)C
13568 HB13568 Phytochemical Sarcosine Cyprinus carpio L., Cyprinus carpio L., Agaricus campestris L. ex Fr. 89.09 CNCC(=O)O
13569 HB13569 Phytochemical Methyl(2Z,8Z)-decadien-4,6-diynoate Solidago virgaurea L. var. leiocarpa (Benth.) A. Gray 174.20 COC(=O)/C=C\C#CC#C/C=C/C
13570 HB13570 Phytochemical Methyl triacontanate Prunus davidiana, Prunus persica (L.) Batsch 466.82 COC(=O)C(=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C)C.[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H]
13571 HB13571 Phytochemical Asarumin B Asarum forbesii Maxim. 236.26 COC(=O)C(C(C)C)OC(=O)c1ccccc1
13572 HB13572 Phytochemical cis-Methyl jasmonat Jasminum sambac (L.) Alt. 224.30 COC(=O)C[C@H]1CCC(=O)[C@@H]1C/C=C\CC
13573 HB13573 Phytochemical secoxyloganin Lonicera hypoglauca, Lonicera japonica, Lonicera confuse, Lonicera dasystyla 404.37 COC(=O)C1=COC(C(C1CC(=O)O)C=C)OC1C(C(C(C(O1)CO)O)O)O
13574 HB13574 Phytochemical Piperaduncin A Piper aduncum 490.54 COC(=O)c1cc(O)c(cc1)[C@@H](C=C(C)C)c1c(OC)cc(c(c1O)C(=O)CCc1ccccc1)O
13575 HB13575 Phytochemical Methyl hexadecanate Thalictrum acutifolium (Hand.-Mazz.) Boivin, Sinomenium acutum (Thunb.) Rehd. et Wils., Ligusticum chuanxiong, Panax notoginseng 88.11 COC(=O)CC
13576 HB13576 Phytochemical dimethyl malate Cornus officinalis 162.14 COC(=O)CC(O)C(=O)OC
13577 HB13577 Phytochemical Dimethyl azelate Angelica sinensis 216.27 COC(=O)CCCCCCCC(=O)OC
13578 HB13578 Phytochemical Dimethyl sebacate Angelica sinensis 230.30 COC(=O)CCCCCCCCC(=O)OC
13579 HB13579 Phytochemical kansuiphorin,b Euphorbia kansui 911.30 COC(=O)CCCCCCCCCCCCCCCC12C(C3(C4(C(=O)C(C1O2)C1C(CC4C)(C1(C)C)OC(=O)CCCCCCCCCCC)C=C(C3C1(C(=O)O1)C(C(C)C)C)C)O)O
13580 HB13580 Phytochemical 3,6-Anhydro-L-galactose dimethyl acetal Gloiopeltis furcata (Post. et Rupr.) j. Ag. 208.21 COC(OC)[C@@H]([C@@H]1C(C(CO1)O)O)O
13581 HB13581 Phytochemical Methylconiferin Balanophora involucrata Hook. f. 356.37 COC/C=C/c1ccc(c(c1)OC)O[C@@H]1OC([C@H]([C@H]([C@H]1O)O)O)CO
13582 HB13582 Phytochemical Arnebifuranone Arnebia euchroma (Royle) Johnst. 316.35 COC1=C(OC)C(=O)C(=CC1=O)C/C(=C/CCc1ccoc1)/C
13583 HB13583 Phytochemical Kusukactone Picrasma quassioides (D. Don) Benn. 478.53 COC1=CC(C2[C@](C1=O)(C1[C@]3([C@@H](C2)OC(=O)C[C@H]3[C@@]([C@@H](C1O)OC(=O)C)(OC(=O)C)C)C)C)C
13584 HB13584 Phytochemical O-Methyltaxodine Cephalotaxus fortunei Hook. f. 331.45 COC1=CC2C(C=C1OC)C13N(CCC2)CCC3=CCC(C1)OC
13585 HB13585 Phytochemical Pseudoaspidin Agrimonia pilosa 460.52 COc1c(C(=O)CCC)c(c(c(c1C)O)Cc1c(c(c(c(c1O)C(=O)CCC)OC)C)O)O
13586 HB13586 Phytochemical Methyl leptol B Evodia lepta (Spr.) Merr. 278.34 COc1c(C(C)OC)c(c2c(c1)OC(C=C2)(C)C)OC
13587 HB13587 Phytochemical Camaroside Lantana camara L 476.43 COc1c(c2ccc(cc2)O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)oc2c(c1=O)c(cc(c2)OC)O
13588 HB13588 Phytochemical Dillapiol Masla dianthera (Ham.) Maxim., Masla dianthera (Ham.) Maxim., Ligusticum scoticum, Ligusticum scoticum, Brucea javanica, Foeniculum vulgare Mill., Foeniculum vulgare Mill., Perilla frutescens, Perilla frutescens, Anethum graveolens L., Anethum graveolens 222.24 COc1c(CC=C)cc2c(c1OC)OCO2
13589 HB13589 Phytochemical glycitin Semen Sojae Praepatum 446.40 COc1c(cc2c(c1)c(=O)c(co2)c1ccc(cc1)O)OC1C(C(C(C(O1)CO)O)O)O
13590 HB13590 Phytochemical aristololactam A IIIa Piper kadsura 281.26 COc1c(cc2c3c(cc4ccc(cc4c13)O)[nH]c2=O)O
13591 HB13591 Phytochemical Lysionotin Helianthus annuus L., Helianthus pumilus 344.32 COc1c(O)c(c2c(c1O)c(=O)cc(o2)c1ccc(cc1)OC)OC
13592 HB13592 Phytochemical 5,8,2'-Trihydroxy-6,7-dimethoxyflavone Scutellaria balcalensis Georgi 330.29 COc1c(O)c2c(c(c1OC)O)c(=O)cc(o2)c1c(O)cccc1
13593 HB13593 Phytochemical (-)-Caaverine Ziziphus jujuba Mill var. Spinosa, Liriodendron tulipifera 267.32 COc1c(O)c2c3c(c1)CCN[C@@H]3Cc1c2cccc1
13594 HB13594 Phytochemical Hesperetic acid Cimicifuga acerina (Sieb. et Zucc.) Tanaka, Valeriana officinalis L., Cimicifuga dahurica (Turcz.) Maxim., Catalpa ovata G. Don, Cimicifuga simplex Wormsk., Cimicifuga foetida L., Artemisia vestita Wall. 194.18 COc1c(O)cc(cc1)/C=C/C(=O)O
13595 HB13595 Phytochemical (+)-Cyclo-olivil Eucommia ulmoides 376.40 COc1c(O)cc2c(c1)C[C@]([C@@H]([C@H]2c1ccc(c(c1)OC)O)CO)(CO)O
13596 HB13596 Phytochemical (S)-trans-N-Methyltetrahydrocolumbamine Tinospora hainanensis H.S. Lo et Z.X. Li 406.43 COc1c(O)cc2c(c1)CC[N@+662]1(C2Cc2c(C1)c(c(cc2)OC)OC)C
13597 HB13597 Phytochemical Cissamine Stephania tetrandra S. Moore, Aristolochia kaempferi Willd., Tinospora hainanensis H.S. Lo et Z.X. Li, Cissampelos pareira L. 392.40 COc1c(O)cc2c(c1)CC[N+662]1(C2Cc2c(C1)c(c(cc2)OC)O)C
13598 HB13598 Phytochemical Reticuline Papaver somniferum L., Thalictrum foliolosum DC., Cocculus laurifolius DC., Cinnamomum camphora (L.) Presl, Dicentra spectabilis (L.) Lem., Corydalis incisa (Thunb.) Pers., Annona squamosa L., Annona reticulata L. 329.39 COc1c(O)cc2c(c1)CCN([C@H]2Cc1ccc(c(c1)O)OC)C
13599 HB13599 Phytochemical Papaverrubine C Papaver sommiferum L. 371.38 COc1c(O)cc2c(c1)CCN[C@H]1C2OC(c2c1ccc1c2OCO1)OC
13600 HB13600 Phytochemical 5,7,4'-Trihydroxy-6-methoxyflavanone Scutellaria balcalensis Georgi 302.28 COc1c(O)cc2c(c1O)C(=O)CC(O2)c1ccc(cc1)O

Pages

XLS