Ingredient ID: NPC472438
Formula: C20H20O9
Common Name | n.a. |
IUPAC Name | n.a. |
Canonical SMILES | COc1c(OC)cc(cc1OC)c1oc2cc(O)c(c(c2c(=O)c1OC)O)OC |
Standard InCHI | InChI=1S/C20H20O9/c1-24-12-6-9(7-13(25-2)19(12)27-4)17-20(28-5)16(23)14-11(29-17)8-10(21)18(26-3)15(14)22/h6-8,21-22H,1-5H3 |
Standard InCHIKey | GGNGEESEARSAMF-UHFFFAOYSA-N |
Ingredient External Links |
ChEMBL ID: CHEMBL3407503 |
Plant-Ingredient Association Reference |
PMID: 25659770 Database: NPASS [NPC472438] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
gardenia urvillei | Gardenia | Rubiaceae |
Ingredient ID: NPC266960
Formula: C17H14O7
Common Name | 3,6-Dimethoxy Kaempferol |
IUPAC Name | 5,7-dihydroxy-2-(4-hydroxyphenyl)-3,6-dimethoxychromen-4-one |
Canonical SMILES | COc1c(O)cc2c(c1O)c(=O)c(c(o2)c1ccc(cc1)O)OC |
Standard InCHI | InChI=1S/C17H14O7/c1-22-16-10(19)7-11-12(13(16)20)14(21)17(23-2)15(24-11)8-3-5-9(18)6-4-8/h3-7,18-20H,1-2H3 |
Standard InCHIKey | DDNPCXHBFYJXBJ-UHFFFAOYSA-N |
Ingredient External Links |
PubChem CID: 5352032 ZINC ID: ZINC000003870887 ChEMBL ID: CHEMBL351607 |
Plant-Ingredient Association Reference |
PMID: 25659770 Database: NPASS [NPC266960] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Anemone raddeana | Anemone | Ranunculaceae | |
Abutilon theophrasti | Abutilon | Malvaceae | |
Afrocarpus falcatus | Afrocarpus | Podocarpaceae | |
Dodonaea viscosa | Dodonaea | Sapindaceae | |
Millettia zechiana | Millettia | Fabaceae | |
Mangifera persiciformis | Mangifera | Anacardiaceae | |
Uvaria cherrevensis | Uvaria | Annonaceae | |
Senecio kaempferi | Senecio | Asteraceae | |
Varthemia iphionoides | Varthemia | Asteraceae | |
Isodon coetsa | Isodon | Lamiaceae | |
Canella winterana | Canella | Canellaceae | |
Delphinium brownii | Delphinium | Ranunculaceae | |
Flemingia chappar | Flemingia | Fabaceae | |
Glycyrrhiza echinata | Glycyrrhiza | Fabaceae | |
Lycopodium contiguum | Lycopodium | Lycopodiaceae | |
Robinsonia gracilis | Robinsonia | Asteraceae | |
Polygala arillata | Polygala | Polygalaceae | |
Sporobolus cynosuroides | Sporobolus | Poaceae | |
Nicotiana debneyi | Nicotiana | Solanaceae | |
Clausena lansium | Clausena | Rutaceae | |
Narcissus obesus | Narcissus | Amaryllidaceae | |
Thalictrum cultratum | Thalictrum | Ranunculaceae | |
Turricula parryi | Turricula | Namaceae | |
Sophora exigua | Sophora | Fabaceae | |
Acacia pycnantha | Acacia | Fabaceae | |
Ericameria diffusa | Ericameria | Asteraceae | |
Gardenia thailandica | Gardenia | Rubiaceae | |
Ocotea pulchella | Ocotea | Lauraceae | |
Uncaria laevigata | Uncaria | Rubiaceae | |
Beta vulgaris | Beta | Chenopodiaceae | |
Lippia mexicana | Lippia | Verbenaceae | |
Carlina acaulis | Carlina | Asteraceae | |
Salvia digitaloides | Salvia | Lamiaceae | |
Eumorphia sericea | Eumorphia | Asteraceae | |
Asterogyne martiana | Asterogyne | Arecaceae | |
Eupatorium birmanicum | Eupatorium | Asteraceae | |
Cirsium tanakae | Cirsium | Asteraceae | |
Chrysosplenium echinus | Chrysosplenium | Saxifragaceae | |
Eriostemon thryptomenoides | Eriostemon | Rutaceae | |
Beilschmiedia volckii | Beilschmiedia | Lauraceae | |
Garcinia pseudoguttifera | Garcinia | Clusiaceae | |
Heliotropium eichwaldii | Heliotropium | Heliotropiaceae | |
Berkheya zeyheri | Berkheya | Asteraceae | |
Xanthium pungens | Xanthium | Asteraceae | |
Ligularia lamarum | Ligularia | Asteraceae | |
Baccharis magellanica | Baccharis | Asteraceae | |
Thermopsis alpina | Thermopsis | Fabaceae | |
Aloe vulgaris | Aloe | Asphodelaceae | |
Mundulea striata | Mundulea | Fabaceae | |
Ranunculus sardous | Ranunculus | Ranunculaceae | |
Hedychium villosum | Hedychium | Zingiberaceae | |
Gutierrezia microcephala | Gutierrezia | Asteraceae | |
Audouinia tentaculata | Audouinia | Bruniaceae | |
Nepenthes thorelii | Nepenthes | Nepenthaceae | |
Gymnema sylvestre | Gymnema | Apocynaceae | |
gardenia urvillei | Gardenia | Rubiaceae | |
Nectandra rubra | Nectandra | Lauraceae | |
Panda oleosa | Panda | Pandaceae | |
Phyllanthus virgatus | Phyllanthus | Phyllanthaceae | |
Daphne giraldii | Daphne | Thymelaeaceae |
Ingredient ID: NPC203891
Formula: C18H16O7
Common Name | Santin |
IUPAC Name | 5,7-dihydroxy-3,6-dimethoxy-2-(4-methoxyphenyl)chromen-4-one |
Canonical SMILES | COc1ccc(cc1)c1oc2cc(O)c(c(c2c(=O)c1OC)O)OC |
Standard InCHI | InChI=1S/C18H16O7/c1-22-10-6-4-9(5-7-10)16-18(24-3)15(21)13-12(25-16)8-11(19)17(23-2)14(13)20/h4-8,19-20H,1-3H3 |
Standard InCHIKey | DWZAJFZEYZIHPO-UHFFFAOYSA-N |
Ingredient External Links |
PubChem CID: 5281695 ZINC ID: ZINC000006018466 ChEMBL ID: CHEMBL161957 |
Plant-Ingredient Association Reference |
PMID: 25659770 Database: NPASS [NPC203891] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Plectranthus nummularius | Plectranthus | Lamiaceae | |
Aristolochia maxima | Aristolochia | Aristolochiaceae | |
Entada polystachya | Entada | Fabaceae | |
Entada africana | Entada | Fabaceae | |
Betula mandshurica | Betula | Betulaceae | |
Iberis sempervirens | Iberis | Brassicaceae | |
Achillea collina | Achillea | Asteraceae | |
Mikania obtusata | Mikania | Asteraceae | |
Orobanche speciosa | Orobanche | Orobanchaceae | |
Jasminum officinale | Jasminum | Oleaceae | |
Schumanniophyton magnificum | Schumanniophyton | Rubiaceae | |
Bergenia purpurascens | Bergenia | Saxifragaceae | |
Fumaria indica | Fumaria | Papaveraceae | |
Kadsura interior | Kadsura | Schisandraceae | |
Dioscorea gracillima | Dioscorea | Dioscoreaceae | |
Vitex limonifolia | Vitex | Lamiaceae | |
Asparagus africanus | Asparagus | Asparagaceae | |
Polygala myrtifolia | Polygala | Polygalaceae | |
Eichhornia crassipes | Eichhornia | Pontederiaceae | |
Alnus japonica | Alnus | Betulaceae | |
Echium rubrum | Echium | Boraginaceae | |
Ligularia platyglossa | Ligularia | Asteraceae | |
Rhodiola krylovii | Rhodiola | Crassulaceae | |
Penstemon newberryi | Penstemon | Plantaginaceae | |
Rapanea myricoides | Rapanea | Primulaceae | |
Crataegus sinaica | Crataegus | Rosaceae | |
Malus asiatica | Malus | Rosaceae | |
Craibiodendron henryi | Craibiodendron | Ericaceae | |
Justicia ciliata | Justicia | Acanthaceae | |
Artemisia vachanica | Artemisia | Asteraceae | |
Lasiocephalus ovatus | Lasiocephalus | Asteraceae | |
Montrouziera sphaeroidea | Montrouziera | Clusiaceae | |
Cotoneaster orbicularis | Cotoneaster | Rosaceae | |
Bischofia trifoliata | Bischofia | Phyllanthaceae | |
Pimpinella saxifraga | Pimpinella | Apiaceae | |
Caragana tibetica | Caragana | Fabaceae | |
Macrotyloma axillare | Macrotyloma | Fabaceae | |
Trigonostemon reidioides | Trigonostemon | Euphorbiaceae | |
Euphorbia ferganensis | Euphorbia | Euphorbiaceae | |
Arachniodes dimorphophylla | Arachniodes | Dryopteridaceae | |
Oreosolen wattii | Oreosolen | Scrophulariaceae | |
Salacia elliptica | Salacia | Celastraceae | |
Crataegus tanacetifolia | Crataegus | Rosaceae | |
Discaria crenata | Discaria | Rhamnaceae | |
Croton cascarilloides | Croton | Euphorbiaceae | |
Polygonatum zanlanscianense | Polygonatum | Asparagaceae | |
Solanum chilense | Solanum | Solanaceae | |
Tropaeolum speciosum | Tropaeolum | Tropaeolaceae | |
Solanum bahamense | Solanum | Solanaceae | |
Tinospora smilacina | Tinospora | Menispermaceae | |
Sarcomelicope argyrophylla | Sarcomelicope | Rutaceae | |
Isodon rubescens | Isodon | Lamiaceae | |
gardenia urvillei | Gardenia | Rubiaceae | |
Dicranopteris linearis | Dicranopteris | Gleicheniaceae | |
Roemeria carica | Roemeria | Papaveraceae | |
Vatica diospyroides | Vatica | Dipterocarpaceae | |
Camellia sinensis | Camellia | Theaceae | |
Pteris setuloso-costulata | Pteris | Pteridaceae | |
Pithecellobium clypearia | Pithecellobium | Fabaceae | |
Tanacetum parthenium | Tanacetum | Asteraceae | |
Pseuduvaria indochinensis | Pseuduvaria | Annonaceae | |
Annona rensoniana | Annona | Annonaceae | |
Gardenia jasminoides | Gardenia | Rubiaceae | |
Monomeria barbata | Monomeria | Orchidaceae |
Ingredient ID: NPC191459
Formula: C18H16O8
Common Name | 5,7-Dihydroxy-2-(4-Hydroxyphenyl)-3,6,8-Trimethoxychromen-4-One |
IUPAC Name | 5,7-dihydroxy-2-(4-hydroxyphenyl)-3,6,8-trimethoxychromen-4-one |
Canonical SMILES | COc1c(O)c(OC)c2c(c1O)c(=O)c(c(o2)c1ccc(cc1)O)OC |
Standard InCHI | InChI=1S/C18H16O8/c1-23-16-11(20)10-12(21)17(24-2)14(8-4-6-9(19)7-5-8)26-15(10)18(25-3)13(16)22/h4-7,19-20,22H,1-3H3 |
Standard InCHIKey | KHZSFBNUQVEEQR-UHFFFAOYSA-N |
Ingredient External Links |
PubChem CID: 5386960 ChEMBL ID: CHEMBL1998369 |
Plant-Ingredient Association Reference |
PMID: 25659770 Database: NPASS [NPC191459] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Afrocarpus falcatus | Afrocarpus | Podocarpaceae | |
Canella winterana | Canella | Canellaceae | |
Flemingia chappar | Flemingia | Fabaceae | |
Sporobolus cynosuroides | Sporobolus | Poaceae | |
Nicotiana debneyi | Nicotiana | Solanaceae | |
Clausena lansium | Clausena | Rutaceae | |
Narcissus obesus | Narcissus | Amaryllidaceae | |
Thalictrum cultratum | Thalictrum | Ranunculaceae | |
Turricula parryi | Turricula | Namaceae | |
Sophora exigua | Sophora | Fabaceae | |
Acacia pycnantha | Acacia | Fabaceae | |
Ericameria diffusa | Ericameria | Asteraceae | |
Ocotea pulchella | Ocotea | Lauraceae | |
Uncaria laevigata | Uncaria | Rubiaceae | |
Beta vulgaris | Beta | Chenopodiaceae | |
Lippia mexicana | Lippia | Verbenaceae | |
Carlina acaulis | Carlina | Asteraceae | |
Salvia digitaloides | Salvia | Lamiaceae | |
Eumorphia sericea | Eumorphia | Asteraceae | |
Asterogyne martiana | Asterogyne | Arecaceae | |
Eupatorium birmanicum | Eupatorium | Asteraceae | |
Cirsium tanakae | Cirsium | Asteraceae | |
Chrysosplenium echinus | Chrysosplenium | Saxifragaceae | |
Eriostemon thryptomenoides | Eriostemon | Rutaceae | |
Beilschmiedia volckii | Beilschmiedia | Lauraceae | |
Garcinia pseudoguttifera | Garcinia | Clusiaceae | |
Heliotropium eichwaldii | Heliotropium | Heliotropiaceae | |
Berkheya zeyheri | Berkheya | Asteraceae | |
Xanthium pungens | Xanthium | Asteraceae | |
Ligularia lamarum | Ligularia | Asteraceae | |
Baccharis magellanica | Baccharis | Asteraceae | |
Thermopsis alpina | Thermopsis | Fabaceae | |
Aloe vulgaris | Aloe | Asphodelaceae | |
Gutierrezia microcephala | Gutierrezia | Asteraceae | |
gardenia urvillei | Gardenia | Rubiaceae | |
Daphne giraldii | Daphne | Thymelaeaceae |
Ingredient ID: NPC103342
Formula: C16H12O6
Common Name | Isokaempferide |
IUPAC Name | 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methoxychromen-4-one |
Canonical SMILES | COc1c(oc2c(c1=O)c(O)cc(c2)O)c1ccc(cc1)O |
Standard InCHI | InChI=1S/C16H12O6/c1-21-16-14(20)13-11(19)6-10(18)7-12(13)22-15(16)8-2-4-9(17)5-3-8/h2-7,17-19H,1H3 |
Standard InCHIKey | VJJZJBUCDWKPLC-UHFFFAOYSA-N |
Ingredient External Links |
PubChem CID: 5280862 ZINC ID: ZINC000005732268 ChEMBL ID: CHEMBL165064 |
Plant-Ingredient Association Reference |
PMID: 25659770 Database: NPASS [NPC103342] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Mitracarpus scaber | Mitracarpus | Rubiaceae | |
Prunus cerasoides | Prunus | Rosaceae | |
Artemisia apiacea | Artemisia | Asteraceae | |
Zingiber aromaticum | Zingiber | Zingiberaceae | |
Dodonaea viscosa | Dodonaea | Sapindaceae | |
Millettia zechiana | Millettia | Fabaceae | |
Uvaria cherrevensis | Uvaria | Annonaceae | |
Hippeastrum papilio | Hippeastrum | Amaryllidaceae | |
Senecio kaempferi | Senecio | Asteraceae | |
Glycyrrhiza inflata | Glycyrrhiza | Fabaceae | |
Varthemia iphionoides | Varthemia | Asteraceae | |
Isodon coetsa | Isodon | Lamiaceae | |
Berberis repens | Berberis | Berberidaceae | |
Polygonatum zanlanscianense | Polygonatum | Asparagaceae | |
Delphinium brownii | Delphinium | Ranunculaceae | |
Glycyrrhiza echinata | Glycyrrhiza | Fabaceae | |
Lycopodium contiguum | Lycopodium | Lycopodiaceae | |
Robinsonia gracilis | Robinsonia | Asteraceae | |
Polygala arillata | Polygala | Polygalaceae | |
Sedum litoreum | Sedum | Crassulaceae | |
Lysimachia christinae | Lysimachia | Primulaceae | |
Diphasiastrum thyoides | Diphasiastrum | Lycopodiaceae | |
Wyethia mollis | Wyethia | Asteraceae | |
Artemisia annua | Artemisia | Asteraceae | |
Mundulea striata | Mundulea | Fabaceae | |
Acer triflorum | Acer | Sapindaceae | |
Glycyrrhiza glabra | Glycyrrhiza | Fabaceae | |
gardenia urvillei | Gardenia | Rubiaceae | |
Teucrium asiaticum | Teucrium | Lamiaceae | |
Euphorbia myrsinites | Euphorbia | Euphorbiaceae | |
Vicia amurensis | Vicia | Fabaceae | |
Drimia sanguinea | Drimia | Hyacinthaceae | |
Nectandra rubra | Nectandra | Lauraceae | |
Millettia ferruginea | Millettia | Fabaceae | |
Acorus gramineus | Acorus | Acoraceae | |
Panda oleosa | Panda | Pandaceae | |
Thermopsis dolichocarpa | Thermopsis | Fabaceae | |
Limnocharis flava | Limnocharis | Alismataceae | |
Amaranthus hypochondriacus | Amaranthus | Amaranthaceae | |
Zanthoxylum fraxineum | Zanthoxylum | Rutaceae | |
Dalea purpurea | Dalea | Fabaceae | |
Zaluzianskya capensis | Zaluzianskya | Scrophulariaceae | |
Glycyrrhiza uralensis | Glycyrrhiza | Fabaceae | |
Helicteres angustifolia | Helicteres | Malvaceae | |
Senecio viscosus | Senecio | Asteraceae | |
Croton laccifer | Croton | Euphorbiaceae | |
Phyllanthus virgatus | Phyllanthus | Phyllanthaceae | |
Acorus tatarinowii | Acorus | Acoraceae |
Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
NPC103342 | C16H12O6 | Isokaempferide | 300.06 | -2.2764 | 2.56 | 1.807 | 2 | 3 | 96.22 | 6 | 3 | 22 | 0 |
NPC191459 | C18H16O8 | 5,7-Dihydroxy-2-(4-Hydroxyphenyl)-3,6,8-Trimethoxychromen-4-One | 360.08 | -2.38 | 2.56 | 0.919 | 2 | 3 | 114.68 | 10 | 3 | 26 | 0 |
NPC203891 | C18H16O7 | Santin | 344.09 | -1.9197 | 2.67 | 1.882 | 2 | 2 | 94.45 | 9 | 3 | 25 | 0 |
NPC266960 | C17H14O7 | 3,6-Dimethoxy Kaempferol | 330.07 | -2.3282 | 2.56 | 1.363 | 2 | 3 | 105.45 | 8 | 3 | 24 | 0 |
NPC472438 | C20H20O9 | 404.11 | -2.0233 | 2.67 | 0.994 | 2 | 2 | 112.91 | 13 | 3 | 29 | 0 |