Ingredient ID: NPC91382
Formula: C30H22O8
Common Name | n.a. |
IUPAC Name | 10-[4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9H-anthracen-9-yl]-1,3,8-trihydroxy-6-methyl-10H-anthracen-9-one |
Canonical SMILES | OCc1cc(O)c2c(c1)C(c1c(C2=O)c(O)ccc1)C1c2cc(C)cc(c2C(=O)c2c1cc(O)cc2O)O |
Standard InCHI | InChI=1S/C30H22O8/c1-12-5-16-24(18-9-14(32)10-22(36)28(18)30(38)26(16)20(34)6-12)23-15-3-2-4-19(33)25(15)29(37)27-17(23)7-13(11-31)8-21(27)35/h2-10,23-24,31-36H,11H2,1H3 |
Standard InCHIKey | DJTVMANCSQLMCX-UHFFFAOYSA-N |
Ingredient External Links |
PubChem CID: 5320384 |
Plant-Ingredient Association Reference |
Database: TCMID [16545] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Pinus koraiensis | Pinus | Pinaceae |
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Berberis fortunei | Berberis | Berberidaceae |
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Thalictrum foliolosum | Thalictrum | Ranunculaceae |
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Berberis amurensis | Berberis | Berberidaceae |
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Berberis thunbergii | Berberis | Berberidaceae |
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Rheum officinale | Rheum | Polygonaceae |
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Coptis omeiensis | Coptis | Ranunculaceae |
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Coptis deltoidea | Coptis | Ranunculaceae |
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Fibraurea recisa | Fibraurea | Menispermaceae |
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Coptis teetoides | Coptis | Ranunculaceae | |
Phellodendron amurense | Phellodendron | Rutaceae |
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Rheum palmatum | Rheum | Polygonaceae |
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Berberis japonica | Berberis | Berberidaceae | |
Coptis chinensis | Coptis | Ranunculaceae |
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Rheum tanguticum | Rheum | Polygonaceae |
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Corydalis yanhusuo | Corydalis | Papaveraceae |
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Ingredient ID: NPC88864
Formula: C15H14O6
Common Name | Javanicin |
IUPAC Name | 5,8-dihydroxy-2-methoxy-6-methyl-7-(2-oxopropyl)naphthalene-1,4-dione |
Canonical SMILES | COC1=CC(=O)c2c(C1=O)c(O)c(c(c2O)C)CC(=O)C |
Standard InCHI | InChI=1S/C15H14O6/c1-6(16)4-8-7(2)13(18)11-9(17)5-10(21-3)15(20)12(11)14(8)19/h5,18-19H,4H2,1-3H3 |
Standard InCHIKey | UHPMCKVQTMMPCG-UHFFFAOYSA-N |
Ingredient External Links |
PubChem CID: 10149 ChEMBL ID: CHEMBL1224810 |
Plant-Ingredient Association Reference |
Database: NPASS [NPC88864] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Stephania tetrandra | Stephania | Menispermaceae |
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Thalictrum foliolosum | Thalictrum | Ranunculaceae |
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Corydalis ochotensis | Corydalis | Papaveraceae |
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Brucea javanica | Brucea | Simaroubaceae |
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Berberis amurensis | Berberis | Berberidaceae |
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Berberis thunbergii | Berberis | Berberidaceae |
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Coptis omeiensis | Coptis | Ranunculaceae |
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Coptis deltoidea | Coptis | Ranunculaceae |
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Coptis teetoides | Coptis | Ranunculaceae | |
Phellodendron amurense | Phellodendron | Rutaceae |
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Berberis julianae | Berberis | Berberidaceae |
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Tinospora hainanensis | Tinospora | Menispermaceae |
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Berberis japonica | Berberis | Berberidaceae | |
Thalictrum lucidum | Thalictrum | Ranunculaceae | |
Coptis chinensis | Coptis | Ranunculaceae |
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Ingredient ID: NPC81218
Formula: C20H23NO4.HI
Common Name | n.a. |
IUPAC Name | (6aS)-11-hydroxy-2,10-dimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-ium-1-olate;hydroiodide |
Canonical SMILES | COc1cc2CC[N+]([C@@H]3c2c(c1[O-])c1c(C3)ccc(c1O)OC)(C)C.I |
Standard InCHI | InChI=1S/C20H23NO4.HI/c1-21(2)8-7-12-10-15(25-4)20(23)18-16(12)13(21)9-11-5-6-14(24-3)19(22)17(11)18;/h5-6,10,13H,7-9H2,1-4H3,(H-,22,23);1H/t13-;/m0./s1 |
Standard InCHIKey | ODRHNGNRVVELAJ-ZOWNYOTGSA-N |
Ingredient External Links |
PubChem CID: 6451920; 131664584 |
Plant-Ingredient Association Reference |
Database: NPASS [NPC81218] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Magnolia obovata | Magnolia | Magnoliaceae |
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Caltha palustris | Caltha | Ranunculaceae |
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Sinomenium acutum | Sinomenium | Menispermaceae |
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Thalictrum foliolosum | Thalictrum | Ranunculaceae |
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Aristolochia contorta | Aristolochia | Aristolochiaceae |
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Magnolia denudata | Magnolia | Magnoliaceae |
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Aristolochia heterophylla | Aristolochia | Aristolochiaceae | |
Berberis amurensis | Berberis | Berberidaceae |
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Aristolochia manshuriensis | Aristolochia | Aristolochiaceae |
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Berberis thunbergii | Berberis | Berberidaceae |
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Thalictrum minus var. hypoleucum | Thalictrum | Ranunculaceae |
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Phellodendron chinense | Phellodendron | Rutaceae |
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Coptis deltoidea | Coptis | Ranunculaceae |
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Coptis teetoides | Coptis | Ranunculaceae | |
Phellodendron amurense | Phellodendron | Rutaceae |
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Aristolochia debilis | Aristolochia | Aristolochiaceae |
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Magnolia sprengeri | Magnolia | Magnoliaceae |
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Croton cumingii | Croton | Euphorbiaceae |
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Litsea cubeba | Litsea | Lauraceae |
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Thalictrum thunbergii | Thalictrum | Ranunculaceae |
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Epimedium brevicornum | Epimedium | Berberidaceae |
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Magnolia officinalis | Magnolia | Magnoliaceae |
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Coptis chinensis | Coptis | Ranunculaceae |
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Ingredient ID: NPC79549
Formula: C15H22O4
Common Name | (3As,6R,6Ar,9R,9As,9Bs)-6,9-Dihydroxy-6,9-Dimethyl-3-Methylenedecahydroazuleno[4,5-B]Furan-2(9Bh)-One |
IUPAC Name | (3aS,6R,6aR,9R,9aS,9bS)-6,9-dihydroxy-6,9-dimethyl-3-methylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one |
Canonical SMILES | O=C1O[C@H]2[C@H](C1=C)CC[C@@]([C@H]1[C@@H]2[C@](C)(O)CC1)(C)O |
Standard InCHI | InChI=1S/C15H22O4/c1-8-9-4-6-14(2,17)10-5-7-15(3,18)11(10)12(9)19-13(8)16/h9-12,17-18H,1,4-7H2,2-3H3/t9-,10+,11-,12-,14+,15+/m0/s1 |
Standard InCHIKey | VHFXPBHLQOPQHJ-ABBQYLIMSA-N |
Ingredient External Links |
PubChem CID: 5319198 ZINC ID: ZINC000033832388 ChEMBL ID: CHEMBL2206436 |
Plant-Ingredient Association Reference |
Database: NPASS [NPC79549] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Berberis fortunei | Berberis | Berberidaceae |
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Caltha palustris | Caltha | Ranunculaceae |
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Sinomenium acutum | Sinomenium | Menispermaceae |
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Thalictrum foliolosum | Thalictrum | Ranunculaceae |
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Aristolochia contorta | Aristolochia | Aristolochiaceae |
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Magnolia denudata | Magnolia | Magnoliaceae |
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Aristolochia heterophylla | Aristolochia | Aristolochiaceae | |
Berberis amurensis | Berberis | Berberidaceae |
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Berberis thunbergii | Berberis | Berberidaceae |
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Thalictrum minus var. hypoleucum | Thalictrum | Ranunculaceae |
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Phellodendron chinense | Phellodendron | Rutaceae |
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Coptis deltoidea | Coptis | Ranunculaceae |
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Coptis teetoides | Coptis | Ranunculaceae | |
Phellodendron amurense | Phellodendron | Rutaceae |
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Aristolochia debilis | Aristolochia | Aristolochiaceae |
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Croton cumingii | Croton | Euphorbiaceae |
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Magnolia officinalis | Magnolia | Magnoliaceae |
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Epimedium brevicornu | Epimedium | Berberidaceae | |
Berberis japonica | Berberis | Berberidaceae | |
Coptis chinensis | Coptis | Ranunculaceae |
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Ingredient ID: NPC299529
Formula: C10H16
Common Name | n.a. |
IUPAC Name | (6S)-3-methylidene-6-propan-2-ylcyclohexene |
Canonical SMILES | CC([C@@H]1CCC(=C)C=C1)C |
Standard InCHI | InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8,10H,3,5,7H2,1-2H3/t10-/m0/s1 |
Standard InCHIKey | LFJQCDVYDGGFCH-JTQLQIEISA-N |
Ingredient External Links |
PubChem CID: 442484 |
Plant-Ingredient Association Reference |
Database: UNPD [UNPD106035] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Strophanthus eminii | Strophanthus | Apocynaceae |
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Moringa oleifera | Moringa | Moringaceae |
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Stevia alpina | Stevia | Asteraceae | |
Ratibida mexicana | Ratibida | Asteraceae |
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Ocimum tenuiflorum | Ocimum | Lamiaceae |
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Peltogyne porphyrocardia | Peltogyne | Fabaceae | |
Balanops australiana | Balanops | Balanopaceae | |
Carum carvi | Carum | Apiaceae |
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Garcinia xipshuanbannaensis | Garcinia | Clusiaceae |
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Caulerpa serrulata | Caulerpa | Caulerpaceae |
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Phagnalon rupestre | Phagnalon | Asteraceae |
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Leonurus persicus | Leonurus | Lamiaceae |
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Delphinium shawurense | Delphinium | Ranunculaceae | |
Lathyrus nissolia | Lathyrus | Fabaceae |
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Pelargonium x hortorum | Pelargonium | Geraniaceae |
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Gutierrezia lucida | Gutierrezia | Asteraceae | |
Helichrysum graveolens | Helichrysum | Asteraceae | |
Polyachyrus sphaerocephalus | Polyachyrus | Asteraceae | |
Magnolia sieboldii | Magnolia | Magnoliaceae |
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Codonopsis pilosula | Codonopsis | Campanulaceae |
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Persea obovatifolia | Persea | Lauraceae | |
Pittocaulon bombycophole | Pittocaulon | Asteraceae | |
Piliostigma thonningii | Piliostigma | Fabaceae |
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Pluchea dioscoridis | Pluchea | Asteraceae |
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Ribes nigrum | Ribes | Grossulariaceae |
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Pinus sylvestris | Pinus | Pinaceae |
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Araiostegiella perdurans | Araiostegiella | Davalliaceae | |
Afraegle paniculata | Afraegle | Rutaceae |
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Cratoxylum pruniflorum | Cratoxylum | Hypericaceae |
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Crinum giganteum | Crinum | Amaryllidaceae | |
Pyrola rotundifolia | Pyrola | Ericaceae |
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Hylocomium splendens | Hylocomium | Hylocomiaceae | |
Ammodendron karelinii | Ammodendron | Fabaceae | |
Cassinia subtropica | Cassinia | Asteraceae | |
Coptis teetoides | Coptis | Ranunculaceae | |
Buglossoides arvensis | Buglossoides | Boraginaceae |
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Millettia laurentii | Millettia | Fabaceae |
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Alcea rosea | Alcea | Malvaceae |
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Aconitum violaceum | Aconitum | Ranunculaceae |
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Monodora tenuifolia | Monodora | Annonaceae |
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Centaurea cheiranthifolia | Centaurea | Asteraceae | |
Sideritis lanata | Sideritis | Lamiaceae | |
Lamprolobium fruticosum | Lamprolobium | Fabaceae | |
Erythrina burttii | Erythrina | Fabaceae |
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Mikania grazielae | Mikania | Asteraceae | |
Mentha pulegium | Mentha | Lamiaceae |
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Laggera aurita | Laggera | Asteraceae |
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Viola hondoensis | Viola | Violaceae | |
Mimusops laurifolia | Mimusops | Sapotaceae |
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Rubus pungens | Rubus | Rosaceae |
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Salvia pisidica | Salvia | Lamiaceae |
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Pinus pumila | Pinus | Pinaceae |
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Piper callosum | Piper | Piperaceae |
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Gyrothyra underwoodiana | Gyrothyra | Gyrothyraceae | |
Pentachondra pumila | Pentachondra | Ericaceae |
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Dianella revoluta | Dianella | Xanthorrhoeaceae |
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Tamarix gallica | Tamarix | Tamaricaceae |
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Ursinia speciosa | Ursinia | Asteraceae | |
Anacyclus pyrethrum | Anacyclus | Asteraceae |
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Poterium sanguisorba | Poterium | Rosaceae |
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Hardwickia pinnata | Hardwickia | Fabaceae | |
Brachylaena perrieri | Brachylaena | Asteraceae | |
Salvia dichroa | Salvia | Lamiaceae | |
Diplotropis ferruginea | Diplotropis | Fabaceae | |
Phlomis ostrowskiana | Phlomis | Lamiaceae | |
Artemisia argyi | Artemisia | Asteraceae |
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Daphnandra johnsonii | Daphnandra | Atherospermataceae | |
Uncaria longiflora | Uncaria | Rubiaceae |
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Colchicum arenarium | Colchicum | Colchicaceae | |
Pimpinella peregrina | Pimpinella | Apiaceae |
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Cladanthus arabicus | Cladanthus | Asteraceae | |
Kokoona ochracea | Kokoona | Celastraceae |
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Medicosma fareana | Medicosma | Rutaceae | |
Solanum crinitum | Solanum | Solanaceae | |
Mentha sylvestris | Mentha | Lamiaceae |
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Euphrasia regelii | Euphrasia | Orobanchaceae |
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Hortonia angustifolia | Hortonia | Monimiaceae | |
Astragalus glycyphyllos | Astragalus | Fabaceae |
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Athrixia elata | Athrixia | Asteraceae |
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Adina trichotoma | Adina | Rubiaceae | |
Julbernardia globifera | Julbernardia | Fabaceae | |
Hippeastrum aulicum | Hippeastrum | Amaryllidaceae | |
Phlox decussata | Phlox | Polemoniaceae | |
Tubocapsicum anomalum | Tubocapsicum | Solanaceae |
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Cuscuta australis | Cuscuta | Convolvulaceae |
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Aster tataricus | Aster | Asteraceae |
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Salvia lanigera | Salvia | Lamiaceae |
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Othonna macrophylla | Othonna | Asteraceae | |
Miliusa balansae | Miliusa | Annonaceae | |
Eucalyptus viminalis | Eucalyptus | Myrtaceae |
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Laggera pterodonta | Laggera | Asteraceae |
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Acronychia haplophylla | Acronychia | Rutaceae |
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Salix petiolaris | Salix | Salicaceae | |
Scutellaria baicalensis | Scutellaria | Lamiaceae |
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Pinus monticola | Pinus | Pinaceae |
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Myrrhis odorata | Myrrhis | Apiaceae |
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Kokoona reflexa | Kokoona | Celastraceae | |
Viguiera decurrens | Viguiera | Asteraceae |
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Sideritis brevibracteata | Sideritis | Lamiaceae |
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Maesa ramentacea | Maesa | Primulaceae |
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Euphorbia cornigera | Euphorbia | Euphorbiaceae | |
Asterolasia squamuligera | Asterolasia | Rutaceae | |
Fagraea gracilipes | Fagraea | Gentianaceae |
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Salvia yosgadensis | Salvia | Lamiaceae | |
Catha edulis | Catha | Celastraceae |
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Sideroxylon cubense | Sideroxylon | Sapotaceae | |
Cinnamomum tenuifolium | Cinnamomum | Lauraceae |
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Catharanthus roseus | Catharanthus | Apocynaceae |
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Iryanthera paraensis | Iryanthera | Myristicaceae |
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Pinus strobus | Pinus | Pinaceae |
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Angelica officinalis | Angelica | Apiaceae |
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Alpinia blepharocalyx | Alpinia | Zingiberaceae |
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Eucalyptus jenseni | Eucalyptus | Myrtaceae | |
Salacia lehmbachii | Salacia | Celastraceae |
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Elettaria cardamomum | Elettaria | Zingiberaceae |
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Pluchea odorata | Pluchea | Asteraceae | |
Magnolia officinalis rehd et wils | Magnolia | Magnoliaceae | |
Euonymus tingens | Euonymus | Celastraceae |
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Citrus junos | Citrus | Rutaceae |
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Syzygium cumini | Syzygium | Myrtaceae |
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Jacobaea argunensis | Jacobaea | Asteraceae | |
Pinus brutia var. eldarica | Pinus | Pinaceae |
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Ingredient ID: NPC200555
Formula: C20H19NO4.HI
Common Name | n.a. |
IUPAC Name | 2,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol;iodide |
Canonical SMILES | COC1=CC2=c3cc4ccc(c(c4cn3CCC2=CC1=O)OC)OC.I |
Standard InCHI | InChI=1S/C20H19NO4.HI/c1-23-18-5-4-12-8-16-14-10-19(24-2)17(22)9-13(14)6-7-21(16)11-15(12)20(18)25-3;/h4-5,8-11H,6-7H2,1-3H3;1H |
Standard InCHIKey | OZWLOJDPSVFYPW-UHFFFAOYSA-N |
Ingredient External Links |
PubChem CID: 5459338 |
Plant-Ingredient Association Reference |
Database: NPASS [NPC200555] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Stephania tetrandra | Stephania | Menispermaceae |
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Thalictrum atriplex | Thalictrum | Ranunculaceae | |
Thalictrum foliolosum | Thalictrum | Ranunculaceae |
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Coptis japonica | Coptis | Ranunculaceae |
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Thalictrum glandulosissimum | Thalictrum | Ranunculaceae | |
Thalictrum petaloideum | Thalictrum | Ranunculaceae | |
Berberis amurensis | Berberis | Berberidaceae |
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Magnolia biondii | Magnolia | Magnoliaceae |
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Berberis thunbergii | Berberis | Berberidaceae |
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Thalictrum faberi | Thalictrum | Ranunculaceae | |
Thalictrum simplex | Thalictrum | Ranunculaceae |
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Coptis omeiensis | Coptis | Ranunculaceae |
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Coptis deltoidea | Coptis | Ranunculaceae |
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Fibraurea recisa | Fibraurea | Menispermaceae |
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Coptis teetoides | Coptis | Ranunculaceae | |
Phellodendron amurense | Phellodendron | Rutaceae |
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Thalictrum microgynum | Thalictrum | Ranunculaceae |
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Berberis julianae | Berberis | Berberidaceae |
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Coptis teeta | Coptis | Ranunculaceae |
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Tinospora hainanensis | Tinospora | Menispermaceae |
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Thalictrum thunbergii | Thalictrum | Ranunculaceae |
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Thalictrum lucidum | Thalictrum | Ranunculaceae | |
Coptis chinensis | Coptis | Ranunculaceae |
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Ingredient ID: NPC183485
Formula: C20H18NO4
Common Name | n.a. |
IUPAC Name | n.a. |
Canonical SMILES | COc1c(OC)ccc2c1c[n+]1CCc3c(c1c2)cc1c(c3)OC(O1)[3H] |
Standard InCHI | InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1/i11T |
Standard InCHIKey | YBHILYKTIRIUTE-KNWSOFMKSA-N |
Ingredient External Links |
PubChem CID: 10246509 |
Plant-Ingredient Association Reference |
Database: TCMID [2303] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Hydrastis canadensis | Hydrastis | Ranunculaceae |
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Chelidonium majus | Chelidonium | Papaveraceae |
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Berberis fortunei | Berberis | Berberidaceae |
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Stephania tetrandra | Stephania | Menispermaceae |
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Thalictrum atriplex | Thalictrum | Ranunculaceae | |
Thalictrum foliolosum | Thalictrum | Ranunculaceae |
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Thalictrum glandulosissimum | Thalictrum | Ranunculaceae | |
Thalictrum petaloideum | Thalictrum | Ranunculaceae | |
Berberis amurensis | Berberis | Berberidaceae |
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Magnolia biondii | Magnolia | Magnoliaceae |
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Berberis thunbergii | Berberis | Berberidaceae |
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Thalictrum minus var. hypoleucum | Thalictrum | Ranunculaceae |
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Thalictrum faberi | Thalictrum | Ranunculaceae | |
Thalictrum simplex | Thalictrum | Ranunculaceae |
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Phellodendron chinense | Phellodendron | Rutaceae |
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Coptis omeiensis | Coptis | Ranunculaceae |
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Coptis deltoidea | Coptis | Ranunculaceae |
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Fibraurea recisa | Fibraurea | Menispermaceae |
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Coptis teetoides | Coptis | Ranunculaceae | |
Phellodendron amurense | Phellodendron | Rutaceae |
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Thalictrum microgynum | Thalictrum | Ranunculaceae |
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Berberis julianae | Berberis | Berberidaceae |
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Corydalis remota | Corydalis | Papaveraceae | |
Meconopsis punicea | Meconopsis | Papaveraceae |
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Argemone mexicana | Argemone | Papaveraceae |
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Berberis japonica | Berberis | Berberidaceae | |
Zanthoxylum bungeanum | Zanthoxylum | Rutaceae |
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Coptis chinensis | Coptis | Ranunculaceae |
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Ziziphus jujuba | Ziziphus | Rhamnaceae |
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Corydalis yanhusuo | Corydalis | Papaveraceae |
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Ingredient ID: NPC171409
Formula: C19H14NO4
Common Name | Coptisine |
IUPAC Name | n.a. |
Canonical SMILES | C1Oc2c(O1)cc1c(c2)CC[n+]2c1cc1ccc3c(c1c2)OCO3 |
Standard InCHI | InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1 |
Standard InCHIKey | XYHOBCMEDLZUMP-UHFFFAOYSA-N |
Ingredient External Links |
PubChem CID: 72322 ZINC ID: ZINC000001709414 ChEMBL ID: CHEMBL362071 |
Plant-Ingredient Association Reference |
Database: NPASS [NPC171409] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Artabotrys maingayi | Artabotrys | Annonaceae |
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Euphorbia fortissima | Euphorbia | Euphorbiaceae |
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Chelidonium majus | Chelidonium | Papaveraceae |
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Theobroma speciosum | Theobroma | Malvaceae |
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Thalictrum atriplex | Thalictrum | Ranunculaceae | |
Thalictrum foliolosum | Thalictrum | Ranunculaceae |
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Coptis japonica | Coptis | Ranunculaceae |
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Corydalis turtschaninovii | Corydalis | Papaveraceae |
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Corydalis decumbens | Corydalis | Papaveraceae |
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Androsace septentrionalis | Androsace | Primulaceae | |
Thalictrum glandulosissimum | Thalictrum | Ranunculaceae | |
Calocephalus knappii | Calocephalus | Asteraceae | |
Thuja plicata | Thuja | Cupressaceae |
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Thalictrum petaloideum | Thalictrum | Ranunculaceae | |
Lamprocapnos spectabilis | Lamprocapnos | Papaveraceae | |
Thalictrum minus var. hypoleucum | Thalictrum | Ranunculaceae |
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Thalictrum faberi | Thalictrum | Ranunculaceae | |
Thalictrum simplex | Thalictrum | Ranunculaceae |
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Phellodendron chinense | Phellodendron | Rutaceae |
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Senna spectabilis | Senna | Fabaceae |
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Coptis omeiensis | Coptis | Ranunculaceae |
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Coptis deltoidea | Coptis | Ranunculaceae |
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Symphytum officinale | Symphytum | Boraginaceae |
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Fibraurea recisa | Fibraurea | Menispermaceae |
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Coptis teetoides | Coptis | Ranunculaceae | |
Psacalium peltatum | Psacalium | Asteraceae |
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Phellodendron amurense | Phellodendron | Rutaceae |
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Diospyros ebenum | Diospyros | Ebenaceae |
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Angelica dahurica | Angelica | Apiaceae |
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Corydalis ophiocarpa | Corydalis | Papaveraceae |
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Corydalis ternata | Corydalis | Papaveraceae | |
Teclea sudanica | Teclea | Rutaceae | |
Mezzettia leptopoda | Mezzettia | Annonaceae | |
Thalictrum microgynum | Thalictrum | Ranunculaceae |
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Stachys plumosa | Stachys | Lamiaceae | |
Piper methysticum | Piper | Piperaceae |
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Lappula echinata | Lappula | Boraginaceae |
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Ligularia sagitta | Ligularia | Asteraceae |
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Phellodendron chinese | Phellodendron | Rutaceae | |
Cussonia racemosa | Cussonia | Araliaceae | |
Corydalis pallida | Corydalis | Papaveraceae |
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Corydalis remota | Corydalis | Papaveraceae | |
Coptis teeta | Coptis | Ranunculaceae |
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Ulex airensis | Ulex | Fabaceae | |
Dicentra spectabilis | Dicentra | Papaveraceae |
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Thalictrum thunbergii | Thalictrum | Ranunculaceae |
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Chaetomorpha moniligera | Chaetomorpha | Cladophoraceae | |
Berberis japonica | Berberis | Berberidaceae | |
Coptis chinensis | Coptis | Ranunculaceae |
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Astragalus trojanus | Astragalus | Fabaceae |
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Corydalis incisa | Corydalis | Papaveraceae |
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Aloe saponaria | Aloe | Asphodelaceae |
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Corydalis yanhusuo | Corydalis | Papaveraceae |
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Zanthoxylum nitidum | Zanthoxylum | Rutaceae |
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Ingredient ID: NPC16452
Formula: C21H22NO4
Common Name | Palmitine |
IUPAC Name | 2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium |
Canonical SMILES | COc1cc2CC[n+]3c(c2cc1OC)cc1c(c3)c(OC)c(cc1)OC |
Standard InCHI | InChI=1S/C21H22NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,9-12H,7-8H2,1-4H3/q+1 |
Standard InCHIKey | QUCQEUCGKKTEBI-UHFFFAOYSA-N |
Ingredient External Links |
PubChem CID: 19009 ZINC ID: ZINC000000608233 ChEMBL ID: CHEMBL206106 |
Plant-Ingredient Association Reference |
Database: NPASS [NPC16452] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Tinospora capillipes | Tinospora | Menispermaceae | |
Chrysanthemum myconis | Chrysanthemum | Asteraceae | |
Acnistus arborescens | Acnistus | Solanaceae |
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Pinus koraiensis | Pinus | Pinaceae |
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Euphorbia fortissima | Euphorbia | Euphorbiaceae |
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Berberis fortunei | Berberis | Berberidaceae |
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Theobroma speciosum | Theobroma | Malvaceae |
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Stephania tetrandra | Stephania | Menispermaceae |
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Thalictrum atriplex | Thalictrum | Ranunculaceae | |
Thalictrum foliolosum | Thalictrum | Ranunculaceae |
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Coptis japonica | Coptis | Ranunculaceae |
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Corydalis turtschaninovii | Corydalis | Papaveraceae |
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Corydalis decumbens | Corydalis | Papaveraceae |
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Androsace septentrionalis | Androsace | Primulaceae | |
Dunaliella salina | Dunaliella | Dunaliellaceae |
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Garcinia paucinervis | Garcinia | Clusiaceae |
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Thalictrum glandulosissimum | Thalictrum | Ranunculaceae | |
Isodon wikstroemioides | Isodon | Lamiaceae | |
Calocephalus knappii | Calocephalus | Asteraceae | |
Trifolium dubium | Trifolium | Fabaceae |
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Thalictrum petaloideum | Thalictrum | Ranunculaceae | |
Macaranga bicolor | Macaranga | Euphorbiaceae | |
Berberis amurensis | Berberis | Berberidaceae |
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Magnolia biondii | Magnolia | Magnoliaceae |
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Berberis thunbergii | Berberis | Berberidaceae |
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Passiflora coccinea | Passiflora | Passifloraceae |
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Jateorhiza palmata | Jateorhiza | Menispermaceae |
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Panax quinquefolius | Panax | Araliaceae |
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Thalictrum minus var. hypoleucum | Thalictrum | Ranunculaceae |
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Thalictrum faberi | Thalictrum | Ranunculaceae | |
Thalictrum simplex | Thalictrum | Ranunculaceae |
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Pilosocereus chrysacanthus | Pilosocereus | Cactaceae |
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Hylomecon japonica | Hylomecon | Papaveraceae |
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Phellodendron chinense | Phellodendron | Rutaceae |
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Coptis omeiensis | Coptis | Ranunculaceae |
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Coptis deltoidea | Coptis | Ranunculaceae |
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Horsfieldia iryaghedhi | Horsfieldia | Myristicaceae | |
Epimedium koreanum | Epimedium | Berberidaceae |
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Fibraurea recisa | Fibraurea | Menispermaceae |
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Karwinskia subcordata | Karwinskia | Rhamnaceae | |
Medicago hispida | Medicago | Fabaceae |
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Coptis teetoides | Coptis | Ranunculaceae | |
Maytenus octogona | Maytenus | Celastraceae | |
Agathosma bisulca | Agathosma | Rutaceae | |
Stephania glabra | Stephania | Menispermaceae |
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Brickellia dentata | Brickellia | Asteraceae | |
Hymenoxys ivesiana | Hymenoxys | Asteraceae | |
Phellodendron amurense | Phellodendron | Rutaceae |
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Corydalis ternata | Corydalis | Papaveraceae | |
Plectranthus ernstii | Plectranthus | Lamiaceae | |
Acorus calamus | Acorus | Acoraceae |
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Paratinospora sagittata | Paratinospora | Menispermaceae | |
Thalictrum microgynum | Thalictrum | Ranunculaceae |
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Phellodendron chinese | Phellodendron | Rutaceae | |
Cussonia racemosa | Cussonia | Araliaceae | |
Corydalis remota | Corydalis | Papaveraceae | |
Coptis teeta | Coptis | Ranunculaceae |
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Achyrocline satureioides | Achyrocline | Asteraceae |
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Berberis japonica | Berberis | Berberidaceae | |
Coptis chinensis | Coptis | Ranunculaceae |
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Astragalus trojanus | Astragalus | Fabaceae |
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Annona glabra | Annona | Annonaceae |
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Aloe saponaria | Aloe | Asphodelaceae |
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Artocarpus incisa | Artocarpus | Moraceae |
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Ligularia nelumbifolia | Ligularia | Asteraceae |
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Corydalis yanhusuo | Corydalis | Papaveraceae |
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Berberis oblonga | Berberis | Berberidaceae |
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Ingredient ID: NPC13826
Formula: C20H19NO4
Common Name | Jatrorrhizine |
IUPAC Name | 2,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol |
Canonical SMILES | COC1=CC2=c3cc4ccc(c(c4c[n+]3CCC2=CC1=O)OC)OC |
Standard InCHI | InChI=1S/C20H19NO4/c1-23-18-5-4-12-8-16-14-10-19(24-2)17(22)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,8-11H,6-7H2,1-3H3/p+1 |
Standard InCHIKey | MXTLAHSTUOXGQF-UHFFFAOYSA-O |
Ingredient External Links |
PubChem CID: 72323 ZINC ID: ZINC000000338122 ChEMBL ID: CHEMBL251055 |
Plant-Ingredient Association Reference |
Database: NPASS [NPC13826] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Tinospora capillipes | Tinospora | Menispermaceae | |
Chrysanthemum myconis | Chrysanthemum | Asteraceae | |
Euphorbia fortissima | Euphorbia | Euphorbiaceae |
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Berberis fortunei | Berberis | Berberidaceae |
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Anaxagorea luzonensis | Anaxagorea | Annonaceae |
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Argyreia nervosa | Argyreia | Convolvulaceae |
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Theobroma speciosum | Theobroma | Malvaceae |
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Erythrina chiriquensis | Erythrina | Fabaceae | |
Stephania tetrandra | Stephania | Menispermaceae |
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Thalictrum atriplex | Thalictrum | Ranunculaceae | |
Thalictrum foliolosum | Thalictrum | Ranunculaceae |
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Coptis japonica | Coptis | Ranunculaceae |
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Corydalis turtschaninovii | Corydalis | Papaveraceae |
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Corydalis decumbens | Corydalis | Papaveraceae |
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Androsace septentrionalis | Androsace | Primulaceae | |
Dunaliella salina | Dunaliella | Dunaliellaceae |
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Bupleurum scorzonerifolium | Bupleurum | Apiaceae |
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Croton regelianus | Croton | Euphorbiaceae | |
Thalictrum glandulosissimum | Thalictrum | Ranunculaceae | |
Calocephalus knappii | Calocephalus | Asteraceae | |
Thalictrum petaloideum | Thalictrum | Ranunculaceae | |
Berberis amurensis | Berberis | Berberidaceae |
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Magnolia biondii | Magnolia | Magnoliaceae |
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Berberis thunbergii | Berberis | Berberidaceae |
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Panax quinquefolius | Panax | Araliaceae |
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Thalictrum minus var. hypoleucum | Thalictrum | Ranunculaceae |
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Thalictrum faberi | Thalictrum | Ranunculaceae | |
Thalictrum simplex | Thalictrum | Ranunculaceae |
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Pilosocereus chrysacanthus | Pilosocereus | Cactaceae |
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Phellodendron chinense | Phellodendron | Rutaceae |
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Phelipanche arenaria | Phelipanche | Orobanchaceae | |
Coptis omeiensis | Coptis | Ranunculaceae |
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Coptis deltoidea | Coptis | Ranunculaceae |
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Notholaena schaffneri | Notholaena | Pteridaceae | |
Pseudofumaria lutea | Pseudofumaria | Papaveraceae | |
Fibraurea recisa | Fibraurea | Menispermaceae |
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Coptis teetoides | Coptis | Ranunculaceae | |
Phellodendron amurense | Phellodendron | Rutaceae |
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Corydalis ternata | Corydalis | Papaveraceae | |
Plectranthus ernstii | Plectranthus | Lamiaceae | |
Paratinospora sagittata | Paratinospora | Menispermaceae | |
Thalictrum microgynum | Thalictrum | Ranunculaceae |
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Phellodendron chinese | Phellodendron | Rutaceae | |
Carapichea ipecacuanha | Carapichea | Rubiaceae |
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Cussonia racemosa | Cussonia | Araliaceae | |
Eupatorium glandulosum | Eupatorium | Asteraceae |
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Lathyrus aphaca | Lathyrus | Fabaceae |
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Sideritis ferrensis | Sideritis | Lamiaceae | |
Radula voluta | Radula | Radulaceae | |
Berberis julianae | Berberis | Berberidaceae |
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Euphorbia broteri | Euphorbia | Euphorbiaceae | |
Zamia spiralis | Zamia | Zamiaceae | |
Coptis teeta | Coptis | Ranunculaceae |
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Tinospora hainanensis | Tinospora | Menispermaceae |
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Melianthus major | Melianthus | Melianthaceae |
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Berberis japonica | Berberis | Berberidaceae | |
Thalictrum lucidum | Thalictrum | Ranunculaceae | |
Coptis chinensis | Coptis | Ranunculaceae |
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Acronychia muelleri | Acronychia | Rutaceae | |
Astragalus trojanus | Astragalus | Fabaceae |
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Piper retrofractum | Piper | Piperaceae |
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Aloe saponaria | Aloe | Asphodelaceae |
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Phoradendron reichenbachianum | Phoradendron | Viscaceae |
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Elettaria cardamomum | Elettaria | Zingiberaceae |
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Artocarpus incisa | Artocarpus | Moraceae |
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Ligularia nelumbifolia | Ligularia | Asteraceae |
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Corydalis yanhusuo | Corydalis | Papaveraceae |
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Berberis oblonga | Berberis | Berberidaceae |
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Ingredient ID: NPC12053
Formula: C20H23NO4
Common Name | n.a. |
IUPAC Name | (6aS)-2,10-dimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-ium-1,11-diol |
Canonical SMILES | COc1ccc2c(c1O)c1c(O)c(OC)cc3c1[C@H](C2)[N+](C)(C)CC3 |
Standard InCHI | InChI=1S/C20H23NO4/c1-21(2)8-7-12-10-15(25-4)20(23)18-16(12)13(21)9-11-5-6-14(24-3)19(22)17(11)18/h5-6,10,13H,7-9H2,1-4H3,(H-,22,23)/p+1/t13-/m0/s1 |
Standard InCHIKey | YLRXAIKMLINXQY-ZDUSSCGKSA-O |
Ingredient External Links |
PubChem CID: 73337 ZINC ID: ZINC000000519823 |
Plant-Ingredient Association Reference |
Database: NPASS [NPC12053] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Tinospora capillipes | Tinospora | Menispermaceae | |
Acnistus arborescens | Acnistus | Solanaceae |
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Epimedium sagittatum | Epimedium | Berberidaceae |
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Berberis fortunei | Berberis | Berberidaceae |
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Magnolia obovata | Magnolia | Magnoliaceae |
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Leontice robustum | Leontice | Berberidaceae |
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Caltha palustris | Caltha | Ranunculaceae |
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Stephania tetrandra | Stephania | Menispermaceae |
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Sinomenium acutum | Sinomenium | Menispermaceae |
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Epimedium sempervirens | Epimedium | Berberidaceae | |
Thalictrum foliolosum | Thalictrum | Ranunculaceae |
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Coptis japonica | Coptis | Ranunculaceae |
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Corydalis turtschaninovii | Corydalis | Papaveraceae |
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Dunaliella salina | Dunaliella | Dunaliellaceae |
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Aristolochia contorta | Aristolochia | Aristolochiaceae |
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Magnolia denudata | Magnolia | Magnoliaceae |
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Garcinia paucinervis | Garcinia | Clusiaceae |
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Aristolochia heterophylla | Aristolochia | Aristolochiaceae | |
Epimedium pubescens | Epimedium | Berberidaceae |
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Glycyrrhiza inflata | Glycyrrhiza | Fabaceae |
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Berberis amurensis | Berberis | Berberidaceae |
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Cyclea racemosa | Cyclea | Menispermaceae | |
Aristolochia manshuriensis | Aristolochia | Aristolochiaceae |
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Berberis thunbergii | Berberis | Berberidaceae |
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Epimedium grandiflorum | Epimedium | Berberidaceae |
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Panax quinquefolius | Panax | Araliaceae |
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Thalictrum minus var. hypoleucum | Thalictrum | Ranunculaceae |
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Pilosocereus chrysacanthus | Pilosocereus | Cactaceae |
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Hylomecon japonica | Hylomecon | Papaveraceae |
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Stephania pierrei | Stephania | Menispermaceae |
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Phellodendron chinense | Phellodendron | Rutaceae |
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Coptis deltoidea | Coptis | Ranunculaceae |
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Epimedium koreanum | Epimedium | Berberidaceae |
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Coptis teetoides | Coptis | Ranunculaceae | |
Phellodendron amurense | Phellodendron | Rutaceae |
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Aristolochia debilis | Aristolochia | Aristolochiaceae |
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Magnolia sprengeri | Magnolia | Magnoliaceae |
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Corydalis ternata | Corydalis | Papaveraceae | |
Paratinospora sagittata | Paratinospora | Menispermaceae | |
Phellodendron chinese | Phellodendron | Rutaceae | |
Croton cumingii | Croton | Euphorbiaceae |
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Coptis teeta | Coptis | Ranunculaceae |
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Litsea cubeba | Litsea | Lauraceae |
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Magnolia officinalis | Magnolia | Magnoliaceae |
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Epimedium brevicornu | Epimedium | Berberidaceae | |
Berberis japonica | Berberis | Berberidaceae | |
Coptis chinensis | Coptis | Ranunculaceae |
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Ziziphus jujuba | Ziziphus | Rhamnaceae |
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Corydalis yanhusuo | Corydalis | Papaveraceae |
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Epimedium wushanense | Epimedium | Berberidaceae |
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Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
NPC12053 | C20H23NO4 | 342.1705332 | -1.9843 | 3.11 | 1.008 | 0 | 2 | 58.92 | 8 | 4 | 25 | 0 | |
NPC13826 | C20H19NO4 | Jatrorrhizine | 338.14 | -1.5606 | 3.11 | 1.039 | 2 | 1 | 49.2 | 6 | 4 | 25 | 0 |
NPC16452 | C21H22NO4 | Palmitine | 352.15 | -1.3839 | 3.22 | 2.969 | 0 | 0 | 40.8 | 8 | 4 | 26 | 0 |
NPC171409 | C19H14NO4 | Coptisine | 320.09 | -1.7821 | 3 | 2.823 | 0 | 0 | 40.8 | 0 | 6 | 24 | 0 |
NPC183485 | C20H18NO4 | 336.1235831 | -1.583 | 3.11 | 2.896 | 0 | 0 | 40.8 | 2 | 5 | 25 | 0 | |
NPC200555 | C20H19NO4.HI | 337.1314081 | -0.1035 | 3.11 | 1.92 | 3 | 0 | 48 | 6 | 4 | 25 | 0 | |
NPC299529 | C10H16 | (6S)-3-methylidene-6-propan-2-ylcyclohexene | 136.1252005 | 1.5645 | 2.56 | 4.472 | 0 | 0 | 0 | 1 | 1 | 10 | 0 |
NPC79549 | C15H22O4 | (3As,6R,6Ar,9R,9As,9Bs)-6,9-Dihydroxy-6,9-Dimethyl-3-Methylenedecahydroazuleno[4,5-B]Furan-2(9Bh)-One | 266.15 | -0.1369 | 2.67 | 1.207 | 4 | 2 | 66.76 | 4 | 3 | 19 | 0 |
NPC81218 | C20H23NO4.HI | 341.1627082 | -2.3181 | 3.11 | 1.008 | 0 | 1 | 61.75 | 8 | 4 | 25 | 0 | |
NPC88864 | C15H14O6 | Javanicin | 290.08 | -1.1628 | 2.45 | -0.542 | 4 | 2 | 100.9 | 8 | 2 | 21 | 0 |
NPC91382 | C30H22O8 | 10-[4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9H-anthracen-9-yl]-1,3,8-trihydroxy-6-methyl-10H-anthracen-9-one | 510.1314677 | -2.6388 | 3.88 | 2.744 | 3 | 6 | 155.52 | 2 | 6 | 38 | 1 |