Phytochemical database

No Ligand ID Drug Group Generic Name Name of Plant MW Smile Edit
13601 HB13601 Phytochemical Pectolinarigenin Duranta repens L. 314.29 COc1c(O)cc2c(c1O)c(=O)cc(o2)c1ccc(cc1)OC
13602 HB13602 Phytochemical Oroxylin Scutellaria hypericifolia, Scutellaria viscidula Bunge., Scutellaria likiangensis Diels., Scutellaria amoena C. H. Wright, Scutellaria balcalensis Georgi, Scutellaria rehderiana Diels., Oroxylum indicum (L.) Vent. 284.26 COc1c(O)cc2c(c1O)c(=O)cc(o2)c1ccccc1
13603 HB13603 Phytochemical 5,7,2'-Trihydroxy-6-methoxyflavone Scutellaria balcalensis Georgi, Scutellaria amoena C. H. Wright 300.26 COc1c(O)cc2c(c1O)c(=O)cc(o2)c1ccccc1O
13604 HB13604 Phytochemical 4'-Methylcapillarisin Artemisia capillaris, Artemisia capillaries 330.29 COc1c(O)cc2c(c1O)c(=O)cc(o2)Oc1ccc(cc1)OC
13605 HB13605 Phytochemical Ferulic acid Plantago major L., Equisetum hiemale, Huperzia selago (L.) Bernh. ex Schrank et Mart., Aristolochia manshuriensis Kom., Taraxacum officinale Weber, Citrus limon Burm., Angelica sinensis, Ziziphus jujuba Mill var. Spinosa, Lycopodium japonium, Oryza sativa 194.18 COc1c(O)ccc(c1)/C=C/C(=O)O
13606 HB13606 Phytochemical Angustioside Swertia angustifolia Buch.-Ham. ex D. Don 566.51 COc1c(O)ccc(c1)/C=C/C(=O)OC1[C@H]([C@H]([C@@H](O[C@@H]1CO)OC1OC=C2[C@]([C@H]1C1CO1)(CCOC2=O)O)O)O
13607 HB13607 Phytochemical 6-O-E-Feruloylajugol Rehmannia glutinosa (Gaertn.) Libosch ex Mey. 524.51 COc1c(O)ccc(c1)/C=C/C(=O)OC1C[C@@]([C@@H]2[C@H]1C=CO[C@H]2O[C@@H]1O[C@@H]([C@H]([C@H]([C@H]1O)O)O)CO)(C)O
13608 HB13608 Phytochemical Dihydro-gamma-sitosteryl ferulate Oryza sativa L. 592.89 COc1c(O)ccc(c1)/C=C/C(=O)OC1CC2C(CC1)(C1C(CC2)C2C(CC1)(C(CC2)C(CCC(CC)C(C)C)C)C)C
13609 HB13609 Phytochemical 2-Methoxy-4-(3-methoxy-1-propenyl)-phenol Ligusticum chuanxiong 194.23 COc1c(O)ccc(c1)/C=C/COC
13610 HB13610 Phytochemical 6-O-Z-Feruloylajugol Rehmannia glutinosa (Gaertn.) Libosch ex Mey. 524.51 COc1c(O)ccc(c1)/C=C\C(=O)OC1C[C@@]([C@@H]2[C@H]1C=CO[C@H]2O[C@@H]1O[C@@H]([C@H]([C@H]([C@H]1O)O)O)CO)(O)C
13611 HB13611 Phytochemical threo-3-Chloro-1-(4-hydroxy-3-methoxyphenyl)propane-1,2-diol Pimenta dioica 232.66 COc1c(O)ccc(c1)[C@H]([C@H](O)CCl)O
13612 HB13612 Phytochemical Anticancer Benzenoid PMV70P691-58 Sida acuta Burm. f. 196.20 COc1c(O)ccc(c1)C(=O)[C@H](C)O
13613 HB13613 Phytochemical Methyl vanillate Aristolochia manshuriensis Kom. 182.17 COc1c(O)ccc(c1)C(=O)OC
13614 HB13614 Phytochemical 2''-O-Acetyl-3'-O-methylrutin Prunus mume (Sieb.) Sieb. et Zucc. 666.58 COc1c(O)ccc(c1)c1c(O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2OC(=O)C)O)O)CO[C@@H]2O[C@H]([C@@H]([C@H]([C@H]2O)O)O)C)c(=O)c2c(o1)cc(cc2O)O
13615 HB13615 Phytochemical [6]-Gingediacetate Zingiber officinale 380.48 COc1c(O)ccc(c1)CC[C@H](C[C@@H](OC(=O)C)CCCCC)OC(=O)C
13616 HB13616 Phytochemical [4]-Gingerol Zingiber officinale, Zingiber officinale 266.33 COc1c(O)ccc(c1)CCC(=O)C[C@H](CCC)O
13617 HB13617 Phytochemical [6]-Gingerol Zingiber officinale, Zingiber officinale 294.39 COc1c(O)ccc(c1)CCC(=O)C[C@H](CCCCC)O
13618 HB13618 Phytochemical 6-Acetyl gingerol Zingiber officinale 336.42 COc1c(O)ccc(c1)CCC(=O)C[C@H](CCCCC)OC(=O)C
13619 HB13619 Phytochemical Pectolinarin Trifolium pratense L., Trifolium pratense L., Linaria vulgaris Mill., Kerria japonica (L.) DC., Cirsium japonicum, Cirisum japonica var. takaoense 622.57 COc1c(O[C@H]2[C@@H]([C@@H]([C@@H]([C@H](O2)CO[C@H]2[C@@H]([C@@H]([C@H]([C@H](O2)C)O)O)O)O)O)O)cc2c(c1O)c(=O)cc(o2)c1ccc(cc1)OC
13620 HB13620 Phytochemical (-)-Dihydroclusin Arctium lappa 402.44 COc1c(OC)c(c2c(c1)C[C@H]([C@@H]([C@H]2c1ccc2c(c1)OCO2)CO)CO)OC
13621 HB13621 Phytochemical Nerinine Zephyranthes candida Herb. 347.41 COc1c(OC)c(c2c(c1)C1C(OC2O)CC=C2C1N(C)CC2)OC
13622 HB13622 Phytochemical Colchicine Veratrum nigrum L., Iphigenia indica Kunth et Benth, Lilium brownii F. E. Brown var. colchesteri Wils 399.44 COc1c(OC)c(c2c(c1)CC[C@@H](c1c2ccc(c(=O)c1)OC)NC(=O)C)OC
13623 HB13623 Phytochemical Capauridine Corydalis pallida var. tennis, Corydalis pallida (Thunb.) Pers. 371.43 COc1c(OC)c(c2c(c1)CCN1[C@H]2Cc2c(C1)c(c(cc2)OC)OC)O
13624 HB13624 Phytochemical Capaurimine Corydalis pallida (Thunb.) Pers. 357.40 COc1c(OC)c(c2c(c1)CCN1C2Cc2c(C1)c(c(cc2)O)OC)O
13625 HB13625 Phytochemical 5,3'-Dihexanoyloxy-3,6,7,4'-tetramethoxyflavone Vitex negundo L. 568.61 COc1c(OC)c(c2c(c1)oc(c(c2=O)OC)c1cc(c(cc1)OC)OC(=O)CCCCC)OC(=O)C/C=C\CC
13626 HB13626 Phytochemical Cirsiliol Artemisia annua L. 330.29 COc1c(OC)c(c2c(c1)oc(cc2=O)c1cc(c(cc1)O)O)O
13627 HB13627 Phytochemical 5,8-Dihydroxy-6,7-dimethoxyflavone Scutellaria balcalensis Georgi 314.29 COc1c(OC)c(c2c(c1O)oc(cc2=O)c1ccccc1)O
13628 HB13628 Phytochemical 5,6,7,8,3',4'-Hexamethoxyflavone Citrus reticulate 374.34 COc1c(OC)c(c2c(c1OC)c(=O)cc(o2)c1ccc(c(c1)O)O)OC
13629 HB13629 Phytochemical Demethylnobiletin Citrus reticulate 388.37 COc1c(OC)c(c2c(c1OC)oc(cc2=O)c1ccc(c(c1)OC)OC)O
13630 HB13630 Phytochemical 5,2'-Dihydroxy-6,7,8-trimethoxyflavone Scutellaria balcalensis Georgi 344.32 COc1c(OC)c(OC)c2c(c1O)c(=O)cc(o2)c1c(O)cccc1
13631 HB13631 Phytochemical 5,2',5'-Trihydroxy-6,7,8-trimethoxyflavone Scutellaria balcalensis Georgi 376.31 COc1c(OC)c2c(c(c1OC)O)c(=O)c(c(o2)c1cc(ccc1O)O)O
13632 HB13632 Phytochemical Icariside A1 Epimedium sagittatum 478.49 COc1c(OC)c2c(cc1OC)CCc1c2cc(c(c1)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)OC
13633 HB13633 Phytochemical Oxoglaucine Glaucium oxylobum Boiss. et Bushse, Glaucium oxylobum Boiss. et Bushse, Annona purpurea, Liriodendron tulipifera, Liriodendron tulipifera 351.35 COc1c(OC)c2c3c(c1)ccnc3C(=O)c1c2cc(c(c1)OC)OC
13634 HB13634 Phytochemical Methoxyadiantifoline Thalictrum foetidvm L. 756.88 COc1c(OC)c2c3c(c1OC)CCN(C3Cc1c2cc(c(c1)Oc1c(cc(c(c1)OC)OC)C[C@H]1c2c(c(c(c(c2)OC)OC)OC)CCN1C)OC)C
13635 HB13635 Phytochemical Myricanol Myrica rubra (Lour.) Sieb. et Zucc. 358.43 COc1c(OC)c2cc(c1O)CCCCC(CCc1ccc(O)c2c1)O
13636 HB13636 Phytochemical 5,2',6'-Trihydroxy-7,8-dimethoxyflavone Scutellaria balcalensis Georgi 330.29 COc1c(OC)c2oc(cc(=O)c2c(c1)O)c1c(O)cccc1O
13637 HB13637 Phytochemical Acoramone Acarus calamus L. 224.25 COc1c(OC)cc(c(c1)CC(=O)C)OC
13638 HB13638 Phytochemical (-)-Denudatin B Piper kadsura, Magnolia biondii Pamp. 356.41 COc1c(OC)cc(cc1)C1OC2=CC(=O)C(=C[C@@]2(C1C)OC)CC=C
13639 HB13639 Phytochemical 3,4,5-Trimethoxy cinnamic acid Polygala tenuifolia 238.24 COc1c(OC)cc(cc1OC)/C=C/C(=O)O
13640 HB13640 Phytochemical 3,4-Dihydroxy-6,7,3',4'-tetramethoxyflavonol Artemisia annua L. 360.36 COc1c(OC)cc2c(c1)C(C(=C(O2)c1cc(c(cc1)OC)OC)O)O
13641 HB13641 Phytochemical Diphyllin Diphylleia grayi, Diphylleia grayi, Diphylleia sinensis Li, Rostellularia procumbens (L.) Nees, Diphylleia sinensis Li, Diphylleia sinensis Li, Rostellularia procumbens (L.) Nees, Rostellularia procumbens (L.) Nees 380.35 COc1c(OC)cc2c(c1)c(c1c(c2c2ccc3c(c2)OCO3)C(=O)OC1)O
13642 HB13642 Phytochemical Justicidin A Rostellularia procumbens (L.) Nees 394.37 COc1c(OC)cc2c(c1)c(c1c(c2c2ccc3c(c2)OCO3)C(=O)OC1)OC
13643 HB13643 Phytochemical Justicidin C Rostellularia procumbens (L.) Nees, Justicia simplex, Justicia simplex, Justicia procumbens var. leucantha, Justicia procumbens var. leucantha 394.37 COc1c(OC)cc2c(c1)c(c1c(c2c2ccc3c(c2)OCO3)COC1=O)OC
13644 HB13644 Phytochemical Lycorenine Lycoris aurea Herb., Lycoris radiata (L'Her.) Herb. 317.38 COc1c(OC)cc2c(c1)C1[C@@H](OC2O)CC=C2[C@H]1N(C)CC2
13645 HB13645 Phytochemical Oxynitidine Zanthoxylum nitidum (Roxb.) DC. 363.36 COc1c(OC)cc2c(c1)c1c(n(c2=O)C)c2c(cc1)cc1c(c2)OCO1
13646 HB13646 Phytochemical Papyramine Narcissus tazetta L var. chinensis Roem. 317.38 COc1c(OC)cc2c(c1)C1C(OC2O)CC=C2C1N(CC2)C
13647 HB13647 Phytochemical Dehydrocorydalmine Corydalis yanhusuo 388.37 COc1c(OC)cc2c(c1)CC[n+662]1c2cc2c(c1)c(c(cc2)O)OC
13648 HB13648 Phytochemical Justicidin B Phyllanthus acuminatus, Phyllanthus acuminatus, Boenninghausenia albiflora (Hook.) Meissn., Boenninghausenia albiflora (Hook.) Meissn., Rostellularia procumbens (L.) Nees 364.35 COc1c(OC)cc2c(c1)cc1c(c2c2ccc3c(c2)OCO3)C(=O)OC1
13649 HB13649 Phytochemical Cephalofortuneine Cephalotaxus fortunei Hook. f. 361.43 COc1c(OC)cc2c(c1)CCCN1C32CC(C(C=C3C(C1)O)O)OC
13650 HB13650 Phytochemical 7-Deoxycephalofortuneine Cephalotaxus fortunei Hook. f. 345.43 COc1c(OC)cc2c(c1)CCCN1C32CC(C(C=C3CC1)O)OC
13651 HB13651 Phytochemical Muramine Papaver nudicaule subsp. amurense 385.45 COc1c(OC)cc2c(c1)CCN(Cc1c(CC2=O)ccc(c1OC)OC)C
13652 HB13652 Phytochemical Papaverrubine B Papaver bracteatum, Papaver commutatum, Papaver persicum, Papaver alpinum, Papaver caucasicum, Papaver sommiferum L. 385.41 COc1c(OC)cc2c(c1)CCN[C@H]1C2O[C@@H](c2c1ccc1c2OCO1)OC
13653 HB13653 Phytochemical Kokusaginine Orixa japonica Thunb., Ruta graveolens L. 259.26 COc1c(OC)cc2c(c1)nc1c(c2OC)cco1
13654 HB13654 Phytochemical Moracin F Morus alba 286.28 COc1c(OC)cc2c(c1)oc(c2)c1cc(cc(c1)O)O
13655 HB13655 Phytochemical (-)-Sparticarpin Spartium junceum 300.31 COc1c(OC)cc2c(c1)OC[C@@H]1[C@H]2Oc2c1ccc(c2)O
13656 HB13656 Phytochemical Rotenone Pachyrhizus erosus ( L.) Urban, Tephrosia purpurea (L.) Pers., Millettia pachycarpa Benth., Derris trifoliata Lour., Derris elliptica 394.42 COc1c(OC)cc2c(c1)OC[C@H]1[C@@H]2C(=O)c2c(O1)c1c(cc2)O[C@@H](C1)C(=C)C
13657 HB13657 Phytochemical 1-Hydroxy-3,6,7-trimethoxy xanthone Polygala tenuifolia 302.28 COc1c(OC)cc2c(c1)oc1c(c2=O)c(cc(c1)OC)O
13658 HB13658 Phytochemical Chrysosplenol D Vitex trifolia, Artemisia annua L. 360.32 COc1c(OC)cc2c(c1O)c(=O)c(c(o2)c1ccc(c(c1)O)O)OC
13659 HB13659 Phytochemical 7-Methylcapillarisin Artemisia capillaries, Artemisia capillaris 344.32 COc1c(OC)cc2c(c1O)c(=O)cc(o2)Oc1ccc(cc1)OC
13660 HB13660 Phytochemical 5,6,7-Trimethoxycoumarin Aleurites cordata 236.22 COc1c(OC)cc2c(c1OC)ccc(=O)o2
13661 HB13661 Phytochemical cis-Methyl isoeugenol Acarus calamus L. 178.23 COc1c(OC)ccc(c1)/C=C\C
13662 HB13662 Phytochemical (+)-Acuminatin Piper kadsura, Magnolia acuminata 340.41 COc1c(OC)ccc(c1)[C@@H]1Oc2c([C@H]1C)cc(cc2OC)/C=C/C
13663 HB13663 Phytochemical Suchilactone Polygala chinensis L. 368.38 COc1c(OC)ccc(c1)CC1/C(=C/c2ccc3c(c2)OCO3)/C(=O)OC1
13664 HB13664 Phytochemical Apiole Petroselinum crispum, Cinnamomum camphora (L.) Presl, Artemisia scoparia Wldst. et Kitaibel 222.24 COc1c2c(c(c(c1)CC=C)OC)OCO2
13665 HB13665 Phytochemical 10-Amino-2,4-dimethoxyphenanthrene-1carboxylie acid lactam Goniothalamus griffithii Hook. f. et Thoms 279.29 COc1c2c3ccccc3cc3c2c(c(c1)OC)c(=O)[nH]3
13666 HB13666 Phytochemical Subaphyllin Comphrena globosa L., Ananas comosus, Citrus aurantium, Citrus paradisi, Zea mays 264.32 COc1cc(/C=C/C(=O)NCCCCN)ccc1O
13667 HB13667 Phytochemical Piperaduncin C Piper aduncum 556.60 COc1cc(c(c(c1Cc1c(cc(c(c1O)C(=O)CCc1ccccc1)O)OC)O)C(=O)CCc1ccccc1)O
13668 HB13668 Phytochemical 4-Methoxysalicylaldehyde Periploca sepium, Periploca sepium, Stelmatocrypton khasianum (Benth.) H. Baill. 152.15 COc1cc(c(cc1)C=O)O
13669 HB13669 Phytochemical (2R,3R)-(+)-4',5,7-Trimethoxydihydroflavonol Lannea grandis (Dennst.) Engl. 330.33 COc1cc(c2c(c1)O[C@@H]([C@H](C2=O)O)c1ccc(cc1)OC)OC
13670 HB13670 Phytochemical Kumatakenin Alpinia japonica Miq., Alpinia japonica Miq., Astragalus membranaceus (Fisch.) Bge. 314.29 COc1cc(c2c(c1)oc(c(c2=O)OC)c1ccc(cc1)O)O
13671 HB13671 Phytochemical Ginkgetin Cephalotaxus fortunei Hook. f., Epimedium koreanum, Ginkgo biloba L., Ginkgo biloba L., Anemarrhena asphodeloides 566.51 COc1cc(c2c(c1)oc(cc2=O)c1cc(c2c(O)cc(c3c2oc(cc3=O)c2ccc(cc2)O)O)c(OC)cc1)O
13672 HB13672 Phytochemical Ginkgetin 7''-O-?-D-glucopyranoside Ginkgo biloba L. 728.65 COc1cc(c2c(c1)oc(cc2=O)c1cc(c2c(O[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)CO)cc(c3c2oc(cc3=O)c2ccc(cc2)O)O)c(OC)cc1)O
13673 HB13673 Phytochemical Persicogenin Prunus davidiana, Prunus persica (L.) Batsch, Prunus persica (L.) Batsch 314.29 COc1cc(c2c(c1)oc(cc2=O)c1ccc(c(c1)O)OC)O
13674 HB13674 Phytochemical Persicoside Prunus davidiana, Prunus persica (L.) Batsch, Prunus persica (L.) Batsch 476.43 COc1cc(c2c(c1)oc(cc2=O)c1ccc(c(c1)O)OC)OC1O[C@@H]([C@H]([C@H]([C@H]1O)O)O)CO
13675 HB13675 Phytochemical 5,8,2'-Trihydroxy-7-methoxyflavone Scutellaria balcalensis Georgi 300.26 COc1cc(c2c(c1O)oc(cc2=O)c1c(O)cccc1)O
13676 HB13676 Phytochemical 3'-Methoxysecoisolariciresinol Urtica dioica L. 392.44 COc1cc(ccc1O)CC(CO)C(Cc1cc(c(c(c1)OC)O)OC)CO
13677 HB13677 Phytochemical Arundoin Poa sphondylodes Trin., Lophatherum gracile Brongn., Imperata cylindrica, Lophatherum gracile Brongn 440.74 COC1CC[C@]2(C(C1(C)C)CCC1C2=CCC2([C@@]1(CCC1([C@H]2CCC1C(C)C)C)C)C)C
13678 HB13678 Phytochemical p-propenyl-anisole Coriandrum sativum L., Asarum heterotropoides, Eugenia caryopyhllata, Artemisia capillaries 148.20 COc1ccc(cc1)/C=C/C
13679 HB13679 Phytochemical Ibogaine Trachelospermum jasminoides (Lindl.) Lem. 310.43 COc1ccc2c(c1)c1c([nH]2)[C@H]2[C@H]3N(CC1)C[C@@H](C2)C[C@@H]3CC
13680 HB13680 Phytochemical 2-O-Methylswertianin Swertia japonica 288.25 COc1ccc2c(c1O)c(=O)c1c(o2)cc(cc1O)OC
13681 HB13681 Phytochemical dichlorvos Myristica fragrans 220.98 COP(=O)(OC)OC=C(Cl)Cl
13682 HB13682 Phytochemical Methyl mercaptan Pelargonium graveolens L'H erit, Raphanus sativus 48.11 CS
13683 HB13683 Phytochemical 4-Methylsulfinyl butyl isothiocyanate Cardaria draba, Lepidium draba 177.29 CS(=O)CCCCN=C=S
13684 HB13684 Phytochemical paederoside Paederia scandens 446.43 CSC(=O)OCC1=CC2C3C1C(OC=C3C(=O)O2)OC1C(C(C(C(O1)CO)O)O)O
13685 HB13685 Phytochemical Methionine Pinellia ternata, Codonopsis pilosula Nannf. var. modesta (Nannf.) L.T. Shen, Lycium barbarum L., Codonopsis subglobosa W. W. Smith., Ginkgo biloba L. 149.21 CSCCC(N)C(=O)O
13686 HB13686 Phytochemical 7-Methylthioheptanenitri Nasturtium officinale 157.28 CSCCCCCCC#N
13687 HB13687 Phytochemical 3-Methylthiopropyl isothiocyanate Brassica juncea (L.) Czern. et Coss. 135.25 CSCCCN=S
13688 HB13688 Phytochemical Dimethyl disulfide Allium sativum L., Allium cepa L., Allium cepa L., Allium tuberosum Rottl., Allium sativum 94.20 CSSC
13689 HB13689 Phytochemical Dimethyl trisulfide Allium sativum L., Allium sativum 126.26 CSSSC
13690 HB13690 Phytochemical Allyl methyl trisulfide Allium sativum L., Allium victorialis L., Allium sativum 152.30 CSSSCC=C
13691 HB13691 Phytochemical Methyl propyl trisulfide Allium sativum L., Allium sativum 154.32 CSSSCCC
13692 HB13692 Phytochemical Dimethyl tetrasulfide Allium tuberosum Rottl. 158.33 CSSSSC
13693 HB13693 Phytochemical Allyl methyl tetrasulfide Allium sativum L., Allium sativum 184.37 CSSSSCC=C
13694 HB13694 Phytochemical Allyl methyl pentasulfide Allium sativum L., Allium sativum 216.43 CSSSSSCC=C
13695 HB13695 Phytochemical L-beta-Cyanolanine Vicia sativa L. 114.10 N#CCC(C(=O)O)N
13696 HB13696 Phytochemical Methyl isothiocyanate Brassica juncea (L.) Czern. et Coss. 87.14 N(=C\C=S)/C
13697 HB13697 Phytochemical 3-Butenyl isothiocyanate Brassica juncea (L.) Czern. et Coss. 127.21 N(=C\C=S)/CCC=C
13698 HB13698 Phytochemical Trimethylamine oxide Penaeus orientalis Kishinouye 75.11 N(=O)(C)(C)C
13699 HB13699 Phytochemical ceramide Panax quinquefolium L., Coix lachryma-jobi 680.10 N(C(=O)[C@@H](C1(CCCCCCCCCCCCCCCCCCCC1)C)O)C(CO)[C@@H]([C@@H](C1(CCCCCCCCCCCC1)C)O)O
13700 HB13700 Phytochemical lonijaposides,a2 Lonicera japonica 652.00 N(C(=O)C(CCC1(CCCCCCCC1)CC)O)C(C(CC(C(CC/C=C/CCCC1(CCCCCCCC1)CC)O)O)O)CO

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