Phytochemical database

No Ligand ID Drug Group Generic Name Name of Plant MW Smile Edit
12801 HB12801 Phytochemical ethyl N-methylpiperidine-3-carboxylate Areca catechu 171.24 C1CCN(C)CC1C(=O)OCC
12802 HB12802 Phytochemical Anabasine Anabasis aphylla, Nicotiana tabacum L. 162.23 C1CCN[C@H](C1)c1cnccc1
12803 HB12803 Phytochemical 14,15-Dihydrovirosecurinine Securinega suffruticosa (Pall.) Rehd. 219.28 C1CCN2[C@@H](C1)[C@@]13C(=CC(=O)O1)CC[C@H]2C3
12804 HB12804 Phytochemical Aphylline Anabasis aphylla 248.36 C1CCN2[C@@H](C1)[C@@H]1CN3[C@H](CCCC3)[C@@H](C1)C2=O
12805 HB12805 Phytochemical (+)-allomatrine Sophora tonkinensis, Sophora flavescens Alt., Strychnosn nux-vomica, Sophora flavescens 248.36 C1CCN2[C@@H]3[C@@H]1CN1[C@@H]([C@H]3CCC2)CCCC1=O
12806 HB12806 Phytochemical (+)-isomatrine Sophora tonkinensis, Strychnosn nux-vomica, Sophora flavescens 248.36 C1CCN2[C@@H]3[C@H]1CN1[C@@H]([C@@H]3CCC2)CCCC1=O
12807 HB12807 Phytochemical Swainsonine Swailnsonia galegifolia, Swailnsonia galegifolia, Swailnsonia canescens, Swailnsonia canescens, Swainsonia luteola 173.21 C1CCN2[C@H]([C@@H]1O)[C@@H]([C@@H](C2)O)O
12808 HB12808 Phytochemical Lupinine Anabasis aphylla, Lupinus luteus, Lupinus luteus 169.26 C1CCN2[C@H](C1)[C@@H](CCC2)CO
12809 HB12809 Phytochemical lamprolobine Sophora tonkinensis 264.36 C1CCN2[C@H](C1)[C@H](CCC2)CN1C(=O)CCCC1=O
12810 HB12810 Phytochemical 17-oxo-alpha-isosparteine Sophora tonkinensis 248.36 C1CCN2[C@H](C1)C1C[C@@H](C2)[C@@H]2N(C1=O)CCCC2
12811 HB12811 Phytochemical Aloperine Sophora alopecuroides L. 232.36 C1CCN2[C@H](C1)C1C[C@H](C2)[C@H]2C(=C1)CCCN2
12812 HB12812 Phytochemical Sparteine Thermopsis lanceolata R. Br., Cytisus scoparius, Thermopsis lanceolata R. Br., Lupinus luteus, Lupinus luteus, Chelidonium majus L., Chelidonium majus L. 234.38 C1CCN2[C@H](C1)C1CC(C2)C2N(C1)CCCC2
12813 HB12813 Phytochemical (+)-5alpha,9alpha-dihydroxymatrine Sophora tonkinensis 279.36 C1CCN2[C@H]3[C@@]1(CN1[C@@H]([C@H]3C[C@@H](C2)O)CC[CH]C1=O)O
12814 HB12814 Phytochemical (+)-9alpha-hydroxymatrine Sophora tonkinensis, Sophora flavescens 296.36 C1CCN2[C@H]3[C@@]1(CN1[C@@H]([C@H]3C[C@@H](C2)O)CCC(C1=O)O)O
12815 HB12815 Phytochemical 5?,9?-Dihydroxymatrine Siegesbeckia orientalis L. 280.36 C1CCN2[C@H]3[C@@]1(CN1[C@@H]([C@H]3C[C@@H](C2)O)CCCC1=O)O
12816 HB12816 Phytochemical (+)-sophoranol Sophora tonkinensis, Sophora flavescens 262.35 C1CCN2[C@H]3[C@@]1(CN1[C@@H]([C@H]3C[CH]C2)CC[CH]C1=O)O
12817 HB12817 Phytochemical (-)-9?-Hydroxylsophocarpine Sophora vicllfolia Hance 262.35 C1CCN2[C@H]3[C@@H]1CN1[C@@H]([C@H]3C[C@@H](C2)O)CC=CC1=O
12818 HB12818 Phytochemical (-)-14beta-hydroxymatrine Sophora tonkinensis, Sophora flavescens 263.36 C1CCN2[C@H]3[C@@H]1CN1[C@@H]([C@H]3C[CH]C2)CC[C@@H](C1=O)O
12819 HB12819 Phytochemical (-)-14beta-acetoxymatrine Sophora tonkinensis 305.39 C1CCN2[C@H]3[C@@H]1CN1[C@@H]([C@H]3C[CH]C2)CC[C@@H](C1=O)OC(=O)C
12820 HB12820 Phytochemical (+)-14alpha-hydroxymatrine Sophora tonkinensis, Sophora flavescens 263.36 C1CCN2[C@H]3[C@@H]1CN1[C@@H]([C@H]3C[CH]C2)CC[C@H](C1=O)O
12821 HB12821 Phytochemical (+)-14alpha-acetoxymatrine Sophora tonkinensis 305.39 C1CCN2[C@H]3[C@@H]1CN1[C@@H]([C@H]3C[CH]C2)CC[C@H](C1=O)OC(=O)C
12822 HB12822 Phytochemical (-)-12?-Hydroxylsophocarpine Sophora vicllfolia Hance 262.35 C1CCN2[C@H]3[C@@H]1CN1[C@@H]([C@H]3CCC2)[C@@H](C=CC1=O)O
12823 HB12823 Phytochemical (-)-14?-Hydroxylsophoridine Sophora vicllfolia Hance 264.36 C1CCN2[C@H]3[C@@H]1CN1[C@@H]([C@H]3CCC2)CC[C@@H](C1=O)O
12824 HB12824 Phytochemical (+)-oxysophocarpine Sophora tonkinensis, Sophora flavescens 246.35 C1CCN2[C@H]3[C@@H]1CN1[C@@H]([C@H]3CCC2)CC=CC1=O
12825 HB12825 Phytochemical Matrine Sophora subprostrata, Sophora tonkinensis, Sophora alopecuroides L., Sophora flavescens Alt., Sophora alopecuroides L., Sophora chrysophylla, Sophora chrysophylla, Sophora tetraptera, Sophora tetraptera, Sophora vicllfolia Hance, Sophora vicllfolia Hance 248.36 C1CCN2[C@H]3[C@@H]1CN1[C@@H]([C@H]3CCC2)CCCC1=O
12826 HB12826 Phytochemical (-)-9alpha-hydroxysophoramine Sophora flavescens 262.35 C1CCN2[C@H]3[C@@H]1CN1C([C@H]3C[C@@H](C2)O)CC=CC1=O
12827 HB12827 Phytochemical 9alpha-hydroxy-7,11-dehydromatrine Sophora flavescens 262.35 C1CCN2[C@H]3[C@@H]1CN1C(=C3C[C@@H](C2)O)CCCC1=O
12828 HB12828 Phytochemical (+)-7,11-dehydromatrine,(leontalbinine) Sophora flavescens 246.35 C1CCN2[C@H]3[C@@H]1CN1C(=C3CCC2)CCCC1=O
12829 HB12829 Phytochemical Pachycarpine Thermopsis lupinoides (L.) Link. 234.38 C1CCN2C(C1)[C@H]1C[C@@H](C2)[C@@H]2N(C1)CCCC2
12830 HB12830 Phytochemical Lagerstremine Lagerstroemia indica L. 437.53 C1CCN2C(C1)C[C@H]1CC2c2ccc(c(c2c2cc(CCC(=O)O1)ccc2O)OC)OC
12831 HB12831 Phytochemical Dihydroverticillatine Lagerstroemia indica L. 423.50 C1CCN2C(C1)CC1CC2c2c(c3cc(ccc3O)CCC(=O)O1)c(c(cc2)OC)O
12832 HB12832 Phytochemical 13,14-dehydrosophoranol Sophora tonkinensis 262.35 C1CCN2C3[C@@]1(CN1[C@@H](C3CCC2)CC=CC1=O)O
12833 HB12833 Phytochemical Pseudoselagine Huperzia selago (L.) Bernh. ex Schrank et Mart. 263.38 C1CCN2C34C1(C(CC(=O)C3CCC2)CC(C4)C)O
12834 HB12834 Phytochemical 5alpha,9alpha-Dihydroxymatrine Siegesbeckia orientalis L. 280.36 C1CCN2C3C1(CN1C(C3CC(C2)O)CCCC1=O)O
12835 HB12835 Phytochemical (-)-13,14-dehydrosophoridine Sophora tonkinensis, Sophora flavescens 244.33 C1CCN2C3C1CN1[C@@H]([C@H]3C[CH]C2)[CH]C=CC1=O
12836 HB12836 Phytochemical (+)-lehmannine Sophora tonkinensis, Sophora flavescens 245.34 C1CCN2C3C1CN1[C@@H]([C@H]3C[CH]C2)C=CCC1=O
12837 HB12837 Phytochemical 3-Hydroxy-2-methylpyridine Astragalus mongholicus Bge., Pinellia pedatisecta Schott 109.13 c1ccnc(c1O)C
12838 HB12838 Phytochemical methyl nicotinate Areca catechu 137.14 c1ccncc1C(=O)OC
12839 HB12839 Phytochemical Nicaustrine Austrotaxus spicata 773.89 c1ccncc1C(=O)OC1[C@H](OC(=O)C)C2=C([C@H](C[C@H](C2(C)C)[C@H]([C@H]2[C@]1([CH]C[C@@H]([C@]12CO1)OC(=O)C[C@H](c1ccccc1)N(C)C)C)OC(=O)C)OC(=O)C)C
12840 HB12840 Phytochemical Nicotaxine Austrotaxus spicata 554.61 c1ccncc1C(=O)OC1[C@H](OC(=O)C)C2=C(C(=O)C[C@H](C2(C)C)[C@H]([C@H]2[C@]1([CH]C[C@@H]([C@]12CO1)O)C)OC(=O)C)C
12841 HB12841 Phytochemical ethyl nicotinate Areca catechu 151.16 c1ccncc1C(=O)OCC
12842 HB12842 Phytochemical Trilobamine Cocculus trilobus (Thunb.) DC. 580.67 C1CN([C@@H]2c3c1cc(c(c3Oc1cc3c(cc1OC)CCN[C@@H]3Cc1ccc(c(Oc3ccc(C2)cc3)c1)O)O)OC)C
12843 HB12843 Phytochemical N-Methyllycodine Lycopodium complanatum L. 256.39 C1CN([C@]23[C@H](C1)[C@H](Cc1c2cccn1)C[C@@H](C3)C)C
12844 HB12844 Phytochemical Ricinine Ricinus communis L. 164.16 c1cn(c(=O)c(c1OC)C#N)C
12845 HB12845 Phytochemical Cuscohygrine Anisodus luridus Link et Otto, Atropa belladonna, PhysochlAlna physaloides (L.) G. Don, Datura stramonium L., Hyoscyamus niger L. 224.34 C1CN(C(C1)CC(=O)CC1CCCN1C)C
12846 HB12846 Phytochemical Methyl isopelletierine Punica granatum, Punica granatum, Sedum kamtschaticum Fisch. 155.24 C1CN(C(CC1)CC(=O)C)C
12847 HB12847 Phytochemical Senkirkine Tussilago farfara, Tussilago farfara, Senecio vernalis, Crotalaria laburn ifolia, Crotalaria laburn ifolia, Senecio vernalis, Senecio jacobaea, Emilia sonchifolia (L.) DC., Emilia sonchifolia (L.) DC., Senecio renardll, Farfugium japonicum (L.) Kitam, Far 365.42 C1CN(CC=C2C(=O)[C@@H]1OC(=O)/C(=C\C)/C[C@@H]([C@](C(=O)OC2)(O)C)C)C
12848 HB12848 Phytochemical Fagomine Morus alba 147.17 C1CN[C@@H]([C@H]([C@@H]1O)O)CO
12849 HB12849 Phytochemical Pyrrolidine carboxylic acd Pinellia ternata, Ficus carica L. 115.13 C1CN[C@@H](C1)C(=O)O
12850 HB12850 Phytochemical D-?-Pipecoline Pinus korAlensis Sieb. et Zucc. 99.17 C1CN[C@@H](CC1)C
12851 HB12851 Phytochemical Trilobine Stephania cepharantha Hayata ex Yamamoto, Cocculus laurifolius DC., Cocculus trilobus (Thunb.) DC. 562.66 C1CN[C@@H]2c3c1cc(c1c3Oc3c(O1)cc1c(c3)C(N(CC1)C)Cc1ccc(c(Oc3ccc(C2)cc3)c1)OC)OC
12852 HB12852 Phytochemical Pelletierine Punica granatum, Punica granatum, Pelargonium zonale, Sedum acre, Commiphora muhul, Solanum aviculare 141.21 C1CN[C@H](CC1)CC(=O)C
12853 HB12853 Phytochemical Coniine Pinellia ternata, Cicuta virosa L., Conium maculatum, Sarracenia flava 127.23 C1CN[C@H](CC1)CCC
12854 HB12854 Phytochemical Sophoranol N-oxide Sophora flavescens Alt. 280.36 C1CN2(=O)C3C(C1)(CN1C(C3CCC2)CCCC1=O)O
12855 HB12855 Phytochemical O9-Angeloylretronecine Arnebia euchroma (Royle) Johnst. 237.30 C1CN2[C@@H]([C@@H]1O)C(=CC2)COC(=O)/C(=C\C)/C
12856 HB12856 Phytochemical Symphytine Symphytum officinale, Symphytum orientale, Symphytum orientale 381.46 C1CN2[C@@H]([C@@H]1OC(=O)/C(=C/C)/C)C(=CC2)COC(=O)[C@]([C@H](C)O)(O)C(C)C
12857 HB12857 Phytochemical O7-Angeloylretronecine Arnebia euchroma (Royle) Johnst. 237.30 C1CN2[C@@H]([C@@H]1OC(=O)/C(=C\C)/C)C(=CC2)CO
12858 HB12858 Phytochemical Heliotrine Cynoglossum officinale L., Heliotropium europaeum, Heliotropium indicum L. 313.39 C1CN2[C@@H]([C@H]1O)C(=CC2)COC(=O)[C@@]([C@@H](C)OC)(C(C)C)O
12859 HB12859 Phytochemical cremastrine Cremastra appendiculata 255.35 C1CN2[C@@H](C1)[C@H](CC2)COC(=O)[C@@H]([C@@H](CC)C)O
12860 HB12860 Phytochemical Supinine Eupatorium cannabinum, Heliotropium supinum, Heliotropium supinum, Eupatorium serotinum, Heliotropium indicum L., Eupatorium serotinum 283.36 C1CN2[C@@H](C1)C(=CC2)COC(=O)[C@@]([C@H](C)O)(C(C)C)O
12861 HB12861 Phytochemical segetalins,f Vaccaria segetalis 955.02 C1CN2[C@@H](C1)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C2=O)CCCCN)CO)CO)Cc1ccc(cc1)O)CO)C)CO)Cc1ccccc1
12862 HB12862 Phytochemical Deacetyllycoclavine Huperzia serrata (Thunb.) Trev. 265.39 C1CN2[C@]34[C@H](C1)[C@H]([C@@H]([C@H]([C@H]3CCC2)O)O)C[C@H](C4)C
12863 HB12863 Phytochemical Acetyllycoclavine Huperzia serrata (Thunb.) Trev. 349.46 C1CN2[C@]34[C@H](C1)[C@H]([C@@H]([C@H]([C@H]3CCC2)OC(=O)C)OC(=O)C)C[C@H](C4)C
12864 HB12864 Phytochemical Integerrimine Senecio alpinus 335.40 C1CN2[C@H]3[C@@H]1OC(=O)/C(=C/C)/C[C@@H]([C@](C(=O)OCC3=CC2)(O)C)C
12865 HB12865 Phytochemical Retusine Agastache rugosa (Fisch. et Mey.) O. Ktze. 309.40 C1CN2[C@H]3[C@@H]1OC(=O)[C@@H]([C@@H]([C@@](C(=O)CC[C@H]3CC2)(C)O)C)C
12866 HB12866 Phytochemical Senecivernine Senecio vernalis 335.40 C1CN2[C@H]3[C@@H]1OC(=O)C(=C)C(C(C(C(=O)OCC3=CC2)(O)C)C)C
12867 HB12867 Phytochemical Sophocarpine Sophora tonkinensis, Sophora flavescens Alt., Sophora alopecuroides L., Sophora alopecuroides L., Sophora flavescens Alt., Sophora pachycarpa, Sophora vicllfolia Hance, Sophora pachycarpa 246.35 C1CN2C3[C@H](C1)CN1[C@@H](C3CCC2)CC=CC1=O
12868 HB12868 Phytochemical Lycopodine Huperzia selago (L.) Bernh. ex Schrank et Mart., Lycopodium japonium, Lycopodium complanatum L. 247.38 C1CN2C34[C@H](C1)C(CC(=O)C3CCC2)CC(C4)C
12869 HB12869 Phytochemical Fawcettiine Lycopodium japonium 307.43 C1CN2C34C(C(C[C@H](C3CCC2)OC(=O)C)C(C(C4)C)O)C1
12870 HB12870 Phytochemical Complanatine Lycopodium complanatum L. 249.39 C1CN2C34C(C1)C(C[C@H](C3CCC2)O)CC(C4)C
12871 HB12871 Phytochemical Clavatine Lycopodium japonium 263.38 C1CN2C34C(C1)C(CC(=O)C3(CCC2)O)CC(C)C4
12872 HB12872 Phytochemical Clavolonine Lycopodium japonium 263.38 C1CN2C34C(C1)C(CC(=O)C3CCC2)C(C(C4)C)O
12873 HB12873 Phytochemical 7,11-Dehydromatrine Sophora flavescens Alt. 246.35 C1CN2C3C(C1)CN1C(=C3CCC2)CCCC1=O
12874 HB12874 Phytochemical delta7-Dehydrosophoramine Phellodendron amurense 242.32 C1CN2C3C(C1)Cn1c(C3=CCC2)cccc1=O
12875 HB12875 Phytochemical Sophoramine Sophora flavescens Alt., Sophora alopecuroides L., Sophora flavescens Alt., Sophora vicllfolia Hance, Sophora vicllfolia Hance 244.33 C1CN2C3C(C1)Cn1c(C3CCC2)cccc1=O
12876 HB12876 Phytochemical Trichodesmine Crotalaria juncea 349.46 C1CN2C3C1CC(=O)C(C(C(C(=C)OCC3=CC2)(C)O)(C)O)C(C)C
12877 HB12877 Phytochemical Senecionine Ligularia japonica, Ligularia japonica, Senecio oryzetorum Diels, Senecio jacobaea, Senecio jacobaea, Senecio vulgaris 335.40 C1CN2C3C1OC(=O)/C(=C\C)/CC(C(C)(C(=O)OCC3=CC2)O)C
12878 HB12878 Phytochemical Sceleratine Senecio sceleratus 369.41 C1CN2CC=C3C2[C@@H]1OC(=O)C(C)(O)[C@@H](C(C(C(=O)OC3)(CO)O)C)C
12879 HB12879 Phytochemical trans-3-Ethylidene-2-pyrrolidinone Corydalis pallida (Thunb.) Pers. 111.14 C1CNC(=O)/C/1=C\C
12880 HB12880 Phytochemical 2-Methyl-3-(2',3',4'-trihydroxybutyl)pyrazine Pinellia pedatisecta Schott 198.22 c1cnc(c(n1)C)C[C@@H]([C@H](CO)O)O
12881 HB12881 Phytochemical 1,4-Thiazane-3-carboxylic acid S-oxide Undaria pinnatifida (Harv.) Sur. 163.20 C1CNC(CS1=O)C(=O)O
12882 HB12882 Phytochemical Azetidine-2-carboxylic acid Polygonatum odoratum, Polygonatum cyrtonema, Beta vulgaris, Convallaria keiskei Miq. 101.10 C1CNC1C(=O)O
12883 HB12883 Phytochemical Lycodoline Huperzia selago (L.) Bernh. ex Schrank et Mart., Huperzia serrata (Thunb.) Trev., Lycopodium japonium 242.36 C1CNC23C(C1)C(Cc1c2cccn1)CC(C3)C
12884 HB12884 Phytochemical Decodine Lagerstroemia indica L. 423.50 C1CNC2C(C1)C[C@H]1CC2c2ccc(c(c2c2cc(CCC(=O)O1)ccc2O)O)OC
12885 HB12885 Phytochemical N'-Methyl nicotineamide Undaria pinnatifida (Harv.) Sur. 136.15 c1cncc(c1)C(=O)NC
12886 HB12886 Phytochemical Pyridin-3-yl-methanol Crocus sativus L. 109.13 c1cncc(c1)CO
12887 HB12887 Phytochemical Cucurbitine Cucurbita moschata, Cucurbita pepo, Cucurbita moschata (Duch.) Poiret 130.15 C1CNCC1(N)C(=O)O
12888 HB12888 Phytochemical Piperidine Piper longum L., Cannabis sativa 85.15 C1CNCCC1
12889 HB12889 Phytochemical 1,4-Epoxy-16-hydroxyheneicos-1,3,12,14,18-pentaene Cipadessa baccifera 316.48 c1coc(c1)CCCCCCC/C=C/C=C/C(C/C=C/CC)O
12890 HB12890 Phytochemical 1,4-Epoxy-16-hydroxyheneicos-1,3,12,14-tetraene Cipadessa baccifera 318.49 c1coc(c1)CCCCCCC/C=C/C=C/C(CCCCC)O
12891 HB12891 Phytochemical Elsholtzia ketone Elsholtzia ciliata (Yhunb.) Hyland 166.22 c1coc(c1C)C(=O)CC(C)C
12892 HB12892 Phytochemical 2-Methanol tetrahydropyran Artemisia argyi 116.16 C1COC(CC1)CO
12893 HB12893 Phytochemical Pangeline Ruta graveolens L. 286.28 c1coc2c1c(c1c(c2)oc(=O)cc1)OCC(O)C(=C)C
12894 HB12894 Phytochemical Chalepensin Ruta graveolens L. 254.28 c1coc2c1cc1c(c2)oc(=O)c(c1)C(C)(C)C=C
12895 HB12895 Phytochemical xanthotoxol 8-O-beta -D-glucopyranoside Glehnia littoralis 366.32 C1COc2c1cc1c(c2O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H](O2)CO)oc(=O)cc1
12896 HB12896 Phytochemical Heraclenin Prangos pabularia 286.28 c1coc2c1cc1c(c2OCC2C(O2)(C)C)oc(=O)cc1
12897 HB12897 Phytochemical Nimbolin A Melia azedarach L. 642.78 c1cocc1C1C2(C(=CC1)[C@]1(C(CC2)[C@]2(C(CC(OC(=O)C)[C@@]3(C)COC(C1OC(=O)/C=C/c1ccccc1)C23)OC(=O)C)C)C)C
12898 HB12898 Phytochemical 2-N-Propyl-1,3-dioxolane Artemisia argyi 117.15 C1CON(O1)CCC
12899 HB12899 Phytochemical Methyl trans-5-(2-thienyl)-2-penten-4-yn-1-oate Achillea millefolium L. 192.23 c1csc(c1)C#C/C=C/C(=O)OC
12900 HB12900 Phytochemical 5-(3-Buten-1-ynyl)-2,2'-bithienyl Tagetes erecta L. 216.32 c1csc(c1)c1ccc(s1)C#CC=C

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