Ingredient ID: NPC75906
Formula: C20H24O6
Common Name | Gnaphalin |
IUPAC Name | n.a. |
Canonical SMILES | OC[C@@]12C(=O)C[C@H]([C@@]3([C@H]1CCC[C@@]12CO1)C[C@H](OC3=O)c1cocc1)C |
Standard InCHI | InChI=1S/C20H24O6/c1-12-7-16(22)20(10-21)15(3-2-5-18(20)11-25-18)19(12)8-14(26-17(19)23)13-4-6-24-9-13/h4,6,9,12,14-15,21H,2-3,5,7-8,10-11H2,1H3/t12-,14+,15-,18+,19-,20+/m1/s1 |
Standard InCHIKey | KRDZPLIXVXKNST-AVIVPSALSA-N |
Ingredient External Links |
PubChem CID: 44584264 ChEMBL ID: CHEMBL465001 |
Plant-Ingredient Association Reference |
Database: NPASS [NPC75906] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Pseudognaphalium affine | Pseudognaphalium | Asteraceae | |
Gnaphalium affine | Gnaphalium | Asteraceae |
Ingredient ID: NPC43243
Formula: C17H14O6
Common Name | n.a. |
IUPAC Name | 5,6-dihydroxy-3,7-dimethoxy-2-phenylchromen-4-one |
Canonical SMILES | COc1c(oc2c(c1=O)c(O)c(c(c2)OC)O)c1ccccc1 |
Standard InCHI | InChI=1S/C17H14O6/c1-21-11-8-10-12(14(19)13(11)18)15(20)17(22-2)16(23-10)9-6-4-3-5-7-9/h3-8,18-19H,1-2H3 |
Standard InCHIKey | ROUBTGBVCGLQRT-UHFFFAOYSA-N |
Ingredient External Links |
PubChem CID: 44259724 |
Plant-Ingredient Association Reference |
PMID: 10820110 Database: NPASS [NPC43243] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Gnaphalium affine | Gnaphalium | Asteraceae |
Ingredient ID: NPC40818
Formula: C20H20O7
Common Name | Tangeretin |
IUPAC Name | 5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)chromen-4-one |
Canonical SMILES | COc1ccc(cc1)c1cc(=O)c2c(o1)c(OC)c(c(c2OC)OC)OC |
Standard InCHI | InChI=1S/C20H20O7/c1-22-12-8-6-11(7-9-12)14-10-13(21)15-16(23-2)18(24-3)20(26-5)19(25-4)17(15)27-14/h6-10H,1-5H3 |
Standard InCHIKey | ULSUXBXHSYSGDT-UHFFFAOYSA-N |
Ingredient External Links |
PubChem CID: 68077 ChEMBL ID: CHEMBL73930 |
Plant-Ingredient Association Reference |
PMID: 10820110 Database: NPASS [NPC40818] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Citrus unshiu | Citrus | Rutaceae | |
Murraya exotica | Murraya | Rutaceae | |
Chromolaena odorata | Chromolaena | Asteraceae | |
Citrus medica | Citrus | Rutaceae | |
Citrus wilsonii | Citrus | Rutaceae | |
Ilex affinis | Ilex | Aquifoliaceae | |
Anaxagorea clavata | Anaxagorea | Annonaceae | |
Citrus sinensis | Citrus | Rutaceae | |
Stenostomum lucidum | Stenostomum | Rubiaceae | |
Beyeria brevifolia | Beyeria | Euphorbiaceae | |
Platycodon grandiflorus | Platycodon | Campanulaceae | |
Citrus trifoliata | Citrus | Rutaceae | |
Kaempferia pulchra | Kaempferia | Zingiberaceae | |
Drosera peltata | Drosera | Droseraceae | |
Arnica nevadensis | Arnica | Asteraceae | |
Odixia angusta | Odixia | Asteraceae | |
Prunus laurocerasus | Prunus | Rosaceae | |
Ficus formosana | Ficus | Moraceae | |
Dipterocarpus alatus | Dipterocarpus | Dipterocarpaceae | |
Echinops amplexicaulis | Echinops | Asteraceae | |
Quercus aegilops | Quercus | Fagaceae | |
Chloranthus tianmushanensis | Chloranthus | Chloranthaceae | |
Prosopis glandulosa | Prosopis | Fabaceae | |
Aria pallescens | Aria | Rosaceae | |
Simira eliezeriana | Simira | Rubiaceae | |
Senecio squalidus | Senecio | Asteraceae | |
Araujia sericifera | Araujia | Apocynaceae | |
Artemisia monogyna | Artemisia | Asteraceae | |
Epaltes gariepina | Epaltes | Asteraceae | |
Seriphidium cinum | Seriphidium | Asteraceae | |
Dendrosenecio kilimanjari | Dendrosenecio | Asteraceae | |
Isodon kameba | Isodon | Lamiaceae | |
Pterocarpus grandiflorus | Pterocarpus | Fabaceae | |
Citrus reticulata | Citrus | Rutaceae | |
Chromolaena pulchella | Chromolaena | Asteraceae | |
Bursaria spinosa | Bursaria | Pittosporaceae | |
Taxodium mucronatum | Taxodium | Cupressaceae | |
Gardenia fosbergii | Gardenia | Rubiaceae | |
Vitex madiensis | Vitex | Lamiaceae | |
Agnorhiza bolanderi | Agnorhiza | Asteraceae | |
Murraya paniculata | Murraya | Rutaceae | |
Citrus maxima | Citrus | Rutaceae | |
Citrus japonica | Citrus | Rutaceae | |
Sesbania punicea | Sesbania | Fabaceae | |
Prunus mume | Prunus | Rosaceae | |
Gnaphalium affine | Gnaphalium | Asteraceae | |
Citrus natsudaidai | Citrus | Rutaceae | |
Salvia officinalis | Salvia | Lamiaceae | |
Securidaca inappendiculata | Securidaca | Polygalaceae | |
Citrus aurantium | Citrus | Rutaceae | |
Pteris prolifera | Pteris | Pteridaceae |
Ingredient ID: NPC292107
Formula: C19H18O7
Common Name | n.a. |
IUPAC Name | 5-hydroxy-3,6,7,8-tetramethoxy-2-phenylchromen-4-one |
Canonical SMILES | COc1c(OC)c2oc(c3ccccc3)c(c(=O)c2c(c1OC)O)OC |
Standard InCHI | InChI=1S/C19H18O7/c1-22-16-12(20)11-13(21)17(23-2)19(25-4)18(24-3)15(11)26-14(16)10-8-6-5-7-9-10/h5-9,21H,1-4H3 |
Standard InCHIKey | OIUOWUVXSYPYLM-UHFFFAOYSA-N |
Ingredient External Links |
PubChem CID: 44260046 |
Plant-Ingredient Association Reference |
PMID: 10820110 Database: NPASS [NPC292107] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Durio carinatus | Durio | Malvaceae | |
Rubus idaeus | Rubus | Rosaceae | |
Styrax formosanus | Styrax | Styracaceae | |
Gnaphalium affine | Gnaphalium | Asteraceae |
Ingredient ID: NPC263670
Formula: C17H16O5
Common Name | Flavokawain C |
IUPAC Name | (E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one |
Canonical SMILES | COc1cc(O)c(c(c1)OC)C(=O)/C=C/c1ccc(cc1)O |
Standard InCHI | InChI=1S/C17H16O5/c1-21-13-9-15(20)17(16(10-13)22-2)14(19)8-5-11-3-6-12(18)7-4-11/h3-10,18,20H,1-2H3/b8-5+ |
Standard InCHIKey | UXUFMIJZNYXWDX-VMPITWQZSA-N |
Ingredient External Links |
PubChem CID: 6293081 ChEMBL ID: CHEMBL251958 |
Plant-Ingredient Association Reference |
PMID: 10820110 Database: NPASS [NPC263670] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Colchicum filifolium | Colchicum | Colchicaceae | |
Cynoglossum macrostylum | Cynoglossum | Boraginaceae | |
Pulsatilla chinensis | Pulsatilla | Ranunculaceae | |
Mucuna holtonii | Mucuna | Fabaceae | |
Quercus marilandica | Quercus | Fagaceae | |
Centaurea scoparia | Centaurea | Asteraceae | |
Mimosa pigra | Mimosa | Fabaceae | |
Maclura cochinchinensis | Maclura | Moraceae | |
Campanula choziatowskyi | Campanula | Campanulaceae | |
Piper methysticum | Piper | Piperaceae | |
Salvia patens | Salvia | Lamiaceae | |
Dialium excelsum | Dialium | Fabaceae | |
Euphorbia hylonoma | Euphorbia | Euphorbiaceae | |
Senecio platyphylloides | Senecio | Asteraceae | |
Drymaria cordata | Drymaria | Caryophyllaceae | |
Boesenbergia pandurata | Boesenbergia | Zingiberaceae | |
Helleborus macranthus | Helleborus | Ranunculaceae | |
Salix rosmarinifolia | Salix | Salicaceae | |
Heliotropium scabrum | Heliotropium | Heliotropiaceae | |
Podocarpus dacrydioides | Podocarpus | Podocarpaceae | |
Centaurea sonchifolia | Centaurea | Asteraceae | |
Matricaria sabulosa | Matricaria | Asteraceae | |
Pterocaulon serrulatum | Pterocaulon | Asteraceae | |
Boswellia ovalifoliolata | Boswellia | Burseraceae | |
Hardenbergia violacea | Hardenbergia | Fabaceae | |
Lonchocarpus chiricanus | Lonchocarpus | Fabaceae | |
Astragalus circassicus | Astragalus | Fabaceae | |
Erythrina hypaphorus | Erythrina | Fabaceae | |
Beilschmiedia madang | Beilschmiedia | Lauraceae | |
Salvia lavanduloides | Salvia | Lamiaceae | |
Rubia akane | Rubia | Rubiaceae | |
Aniba santalodora | Aniba | Lauraceae | |
Mentzelia decapetala | Mentzelia | Loasaceae | |
Amorphophallus konjac | Amorphophallus | Araceae | |
Gnaphalium affine | Gnaphalium | Asteraceae | |
Salvia virgata | Salvia | Lamiaceae | |
Petunia axillaris subsp. parodii | Petunia | Solanaceae | |
Bethencourtia palmensis | Bethencourtia | Asteraceae | |
Lepechinia urbanii | Lepechinia | Lamiaceae |
Ingredient ID: NPC242294
Formula: C18H18O5
Common Name | Flavokawain A |
IUPAC Name | (E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one |
Canonical SMILES | COc1ccc(cc1)/C=C/C(=O)c1c(O)cc(cc1OC)OC |
Standard InCHI | InChI=1S/C18H18O5/c1-21-13-7-4-12(5-8-13)6-9-15(19)18-16(20)10-14(22-2)11-17(18)23-3/h4-11,20H,1-3H3/b9-6+ |
Standard InCHIKey | CGIBCVBDFUTMPT-RMKNXTFCSA-N |
Ingredient External Links |
PubChem CID: 5355469 ZINC ID: ZINC000004100760 ChEMBL ID: CHEMBL243829 |
Plant-Ingredient Association Reference |
PMID: 10820110 Database: NPASS [NPC242294] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Piper methysticum | Piper | Piperaceae | |
Gnaphalium affine | Gnaphalium | Asteraceae |
Ingredient ID: NPC211120
Formula: C19H20O5
Common Name | 4,2',4',6'-Tetramethoxychalcone |
IUPAC Name | (E)-3-(4-methoxyphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one |
Canonical SMILES | COc1ccc(cc1)/C=C/C(=O)c1c(OC)cc(cc1OC)OC |
Standard InCHI | InChI=1S/C19H20O5/c1-21-14-8-5-13(6-9-14)7-10-16(20)19-17(23-3)11-15(22-2)12-18(19)24-4/h5-12H,1-4H3/b10-7+ |
Standard InCHIKey | JQNMAEHFTQBROH-JXMROGBWSA-N |
Ingredient External Links |
PubChem CID: 5378566 ChEMBL ID: CHEMBL32339 |
Plant-Ingredient Association Reference |
PMID: 10820110 Database: NPASS [NPC211120] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Gnaphalium affine | Gnaphalium | Asteraceae |
Ingredient ID: NPC176775
Formula: C19H18O7
Common Name | Gardenin B |
IUPAC Name | 5-hydroxy-6,7,8-trimethoxy-2-(4-methoxyphenyl)chromen-4-one |
Canonical SMILES | COc1ccc(cc1)c1cc(=O)c2c(o1)c(OC)c(c(c2O)OC)OC |
Standard InCHI | InChI=1S/C19H18O7/c1-22-11-7-5-10(6-8-11)13-9-12(20)14-15(21)17(23-2)19(25-4)18(24-3)16(14)26-13/h5-9,21H,1-4H3 |
Standard InCHIKey | LXEVSYZNYDZSOB-UHFFFAOYSA-N |
Ingredient External Links |
PubChem CID: 96539 ZINC ID: ZINC000001723552 ChEMBL ID: CHEMBL226512 |
Plant-Ingredient Association Reference |
PMID: 10820110 Database: NPASS [NPC176775] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Citrus unshiu | Citrus | Rutaceae | |
Macrotomia ugamensis | Macrotomia | Boraginaceae | |
Biebersteinia orphanidis | Biebersteinia | Biebersteiniaceae | |
Rhamnus japonica | Rhamnus | Rhamnaceae | |
Mentha canadensis | Mentha | Lamiaceae | |
Chromolaena odorata | Chromolaena | Asteraceae | |
Ilex affinis | Ilex | Aquifoliaceae | |
Anaxagorea clavata | Anaxagorea | Annonaceae | |
Stenostomum lucidum | Stenostomum | Rubiaceae | |
Beyeria brevifolia | Beyeria | Euphorbiaceae | |
Kaempferia pulchra | Kaempferia | Zingiberaceae | |
Drosera peltata | Drosera | Droseraceae | |
Polygala glomerata | Polygala | Polygalaceae | |
Mentha arvensis | Mentha | Lamiaceae | |
Arnica nevadensis | Arnica | Asteraceae | |
Odixia angusta | Odixia | Asteraceae | |
Prunus laurocerasus | Prunus | Rosaceae | |
Salvia mirzayanii | Salvia | Lamiaceae | |
Ficus formosana | Ficus | Moraceae | |
Dipterocarpus alatus | Dipterocarpus | Dipterocarpaceae | |
Echinops amplexicaulis | Echinops | Asteraceae | |
Quercus aegilops | Quercus | Fagaceae | |
Chloranthus tianmushanensis | Chloranthus | Chloranthaceae | |
Prosopis glandulosa | Prosopis | Fabaceae | |
Aria pallescens | Aria | Rosaceae | |
Simira eliezeriana | Simira | Rubiaceae | |
Senecio squalidus | Senecio | Asteraceae | |
Araujia sericifera | Araujia | Apocynaceae | |
Artemisia monogyna | Artemisia | Asteraceae | |
Epaltes gariepina | Epaltes | Asteraceae | |
Seriphidium cinum | Seriphidium | Asteraceae | |
Dendrosenecio kilimanjari | Dendrosenecio | Asteraceae | |
Isodon kameba | Isodon | Lamiaceae | |
Pterocarpus grandiflorus | Pterocarpus | Fabaceae | |
Citrus reticulata | Citrus | Rutaceae | |
Chromolaena pulchella | Chromolaena | Asteraceae | |
Bursaria spinosa | Bursaria | Pittosporaceae | |
Taxodium mucronatum | Taxodium | Cupressaceae | |
Gardenia fosbergii | Gardenia | Rubiaceae | |
Vitex madiensis | Vitex | Lamiaceae | |
Agnorhiza bolanderi | Agnorhiza | Asteraceae | |
Echinopsis spachiana | Echinopsis | Cactaceae | |
Sesbania punicea | Sesbania | Fabaceae | |
Piptanthus mongolicus | Piptanthus | Fabaceae | |
Clausena lenis | Clausena | Rutaceae | |
Piptanthus nepalensis | Piptanthus | Fabaceae | |
Reichardia gaditana | Reichardia | Asteraceae | |
Launaea arborescens | Launaea | Asteraceae | |
Gnaphalium affine | Gnaphalium | Asteraceae | |
Salvia officinalis | Salvia | Lamiaceae | |
Securidaca inappendiculata | Securidaca | Polygalaceae | |
Pteris prolifera | Pteris | Pteridaceae | |
Bauhinia racemosa | Bauhinia | Fabaceae |
Ingredient ID: NPC167400
Formula: C6H5NO2
Common Name | Niacin |
IUPAC Name | pyridine-3-carboxylic acid |
Canonical SMILES | OC(=O)c1cccnc1 |
Standard InCHI | InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9) |
Standard InCHIKey | PVNIIMVLHYAWGP-UHFFFAOYSA-N |
Ingredient External Links |
PubChem CID: 938 ChEMBL ID: CHEMBL573 |
Plant-Ingredient Association Reference |
Database: NPASS [NPC167400] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Passiflora incarnata | Passiflora | Passifloraceae | |
Geigeria schinzii | Geigeria | Asteraceae | |
Baccharis grandicapitulata | Baccharis | Asteraceae | |
Renealmia alpinia | Renealmia | Zingiberaceae | |
Angelica gigas | Angelica | Apiaceae | |
Alstonia muelleriana | Alstonia | Apocynaceae | |
Dacrydium cupressinum | Dacrydium | Podocarpaceae | |
Morella pensylvanica | Morella | Myricaceae | |
Delphinium giraldii | Delphinium | Ranunculaceae | |
Papaver radicatum | Papaver | Papaveraceae | |
Stellaria media | Stellaria | Caryophyllaceae | |
Pinus glauca | Pinus | Pinaceae | |
Trigonella grandiflora | Trigonella | Fabaceae | |
Curcuma aeruginosa | Curcuma | Zingiberaceae | |
Ophryosporus charua | Ophryosporus | Asteraceae | |
Blainvillea latifolia | Blainvillea | Asteraceae | |
Nicotiana undulata | Nicotiana | Solanaceae | |
Senegalia catechu | Senegalia | Fabaceae | |
Piper brachystachyum | Piper | Piperaceae | |
Prosopis kuntzei | Prosopis | Fabaceae | |
Leontice kiangnanensis | Leontice | Berberidaceae | |
Tephroseris kirilowii | Tephroseris | Asteraceae | |
Cheilanthes marantae | Cheilanthes | Pteridaceae | |
Helichrysum angustifolium | Helichrysum | Asteraceae | |
Artemisia cina | Artemisia | Asteraceae | |
Vitex negundo | Vitex | Lamiaceae | |
Senecio congestus | Senecio | Asteraceae | |
Angelica sinensis | Angelica | Apiaceae | |
Papaver pseudocanescens | Papaver | Papaveraceae | |
Lablab semen album | Lablab | Fabaceae | |
Rhodiola rosea | Rhodiola | Crassulaceae | |
Sideritis dasygnaphala | Sideritis | Lamiaceae | |
Codonopsis pilosula | Codonopsis | Campanulaceae | |
Gutierrezia dracunculoides | Gutierrezia | Asteraceae | |
Psidium acutangulum | Psidium | Myrtaceae | |
Beesia calthifolia | Beesia | Ranunculaceae | |
Benincasa hispida | Benincasa | Cucurbitaceae | |
Bursera kerberi | Bursera | Burseraceae | |
Helenium integrifolium | Helenium | Asteraceae | |
Rhododendron mucronulatum | Rhododendron | Ericaceae | |
Lycium chinense | Lycium | Solanaceae | |
Euonymus fortunei | Euonymus | Celastraceae | |
Phlomis crinita | Phlomis | Lamiaceae | |
Crotalaria stolzii | Crotalaria | Fabaceae | |
Selinum libanotis | Selinum | Apiaceae | |
Melampodium leucanthum | Melampodium | Asteraceae | |
Clerodendrum trichotomum | Clerodendrum | Lamiaceae | |
Juniperus scopulorum | Juniperus | Cupressaceae | |
Tripolium pannonicum | Tripolium | Asteraceae | |
Clinacanthus nutans | Clinacanthus | Acanthaceae | |
Melia azedarach | Melia | Meliaceae | |
Alstonia angustiloba | Alstonia | Apocynaceae | |
Lasianthaea podocephala | Lasianthaea | Asteraceae | |
Eucalyptus albens | Eucalyptus | Myrtaceae | |
Tadehagi triquetrum | Tadehagi | Fabaceae | |
Annona cherimola | Annona | Annonaceae | |
Pellacalyx axillaris | Pellacalyx | Rhizophoraceae | |
Coreopsis nodosa | Coreopsis | Asteraceae | |
Boschniakia rossica | Boschniakia | Orobanchaceae | |
Stenocereus thurberi | Stenocereus | Cactaceae | |
Pseudognaphalium affine | Pseudognaphalium | Asteraceae | |
Uvaria calamistrata | Uvaria | Annonaceae | |
Hordeum vulgare | Hordeum | Poaceae | |
Haematococcus lacustris | Haematococcus | Haematococcaceae | |
Alpinia oxyphylla | Alpinia | Zingiberaceae | |
Coffea liberica var. dewevrei | Coffea | Rubiaceae | |
Sesamum indicum | Sesamum | Pedaliaceae | |
Hedysarum multijugum maxim | Hedysarum | Fabaceae | |
Pachycereus pringlei | Pachycereus | Cactaceae | |
Cucurbita moschata | Cucurbita | Cucurbitaceae | |
Botrychium ternatum | Botrychium | Ophioglossaceae | |
Anemarrhena asphodeloides | Anemarrhena | Asparagaceae | |
Vigna radiata | Vigna | Fabaceae | |
Panax ginseng | Panax | Araliaceae | |
Angelica acutiloba | Angelica | Apiaceae | |
Lupinus cosentinii | Lupinus | Fabaceae | |
Acacia catechu | Acacia | Fabaceae | |
Gnaphalium affine | Gnaphalium | Asteraceae | |
Bersama swinnyi | Bersama | Melianthaceae | |
Hedysarum gmelini | Hedysarum | Fabaceae | |
Codonopsis radix | Codonopsis | Campanulaceae | |
Glycine tomentella | Glycine | Fabaceae | |
Euploca racemosa | Euploca | Heliotropiaceae | |
Ziziphus jujuba | Ziziphus | Rhamnaceae | |
Goniothalamus undulatus | Goniothalamus | Annonaceae | |
Pteris spinulosa | Pteris | Pteridaceae | |
Panax schinseng | Panax | Araliaceae | |
Platycodon grandiforus | Platycodon | Campanulaceae | |
Senecio paludaffinis | Senecio | Asteraceae | |
Camellia sinensis | Camellia | Theaceae | |
Triticum aestivum | Triticum | Poaceae | |
Nemuaron humboldtii | Nemuaron | Atherospermataceae | |
Lophocereus marginatus | Lophocereus | Cactaceae | |
Helichrysum sutherlandii | Helichrysum | Asteraceae | |
Aralidium pinnatifidum | Aralidium | Torricelliaceae | |
Euphorbia resinifera | Euphorbia | Euphorbiaceae | |
Artemisia pectinata | Artemisia | Asteraceae | |
Zephyranthes flava | Zephyranthes | Amaryllidaceae | |
Eurycoma longifolia | Eurycoma | Simaroubaceae |
Ingredient ID: NPC143828
Formula: C20H20O8
Common Name | 5-Hydroxyauranetin |
IUPAC Name | 5-hydroxy-3,6,7,8-tetramethoxy-2-(4-methoxyphenyl)chromen-4-one |
Canonical SMILES | COc1ccc(cc1)c1oc2c(OC)c(OC)c(c(c2c(=O)c1OC)O)OC |
Standard InCHI | InChI=1S/C20H20O8/c1-23-11-8-6-10(7-9-11)15-17(24-2)13(21)12-14(22)18(25-3)20(27-5)19(26-4)16(12)28-15/h6-9,22H,1-5H3 |
Standard InCHIKey | KBYYZSYVUWCARH-UHFFFAOYSA-N |
Ingredient External Links |
PubChem CID: 11079623 ChEMBL ID: CHEMBL504047 |
Plant-Ingredient Association Reference |
PMID: 10820110 Database: NPASS [NPC143828] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Craibiodendron henryi | Craibiodendron | Ericaceae | |
Justicia ciliata | Justicia | Acanthaceae | |
Salacia elliptica | Salacia | Celastraceae | |
Crataegus tanacetifolia | Crataegus | Rosaceae | |
Croton cascarilloides | Croton | Euphorbiaceae | |
Gnaphalium affine | Gnaphalium | Asteraceae | |
Dicranopteris linearis | Dicranopteris | Gleicheniaceae |
Ingredient ID: NPC129132
Formula: C16H14O5
Common Name | Helichrysetin |
IUPAC Name | (E)-1-(2,4-dihydroxy-6-methoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one |
Canonical SMILES | COc1cc(O)cc(c1C(=O)/C=C/c1ccc(cc1)O)O |
Standard InCHI | InChI=1S/C16H14O5/c1-21-15-9-12(18)8-14(20)16(15)13(19)7-4-10-2-5-11(17)6-3-10/h2-9,17-18,20H,1H3/b7-4+ |
Standard InCHIKey | OWGUBYRKZATRIT-QPJJXVBHSA-N |
Ingredient External Links |
PubChem CID: 6253344 ZINC ID: ZINC000005998943 ChEMBL ID: CHEMBL507998 |
Plant-Ingredient Association Reference |
PMID: 10820110 Database: NPASS [NPC129132] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Colchicum filifolium | Colchicum | Colchicaceae | |
Cynoglossum macrostylum | Cynoglossum | Boraginaceae | |
Pulsatilla chinensis | Pulsatilla | Ranunculaceae | |
Mucuna holtonii | Mucuna | Fabaceae | |
Quercus marilandica | Quercus | Fagaceae | |
Centaurea scoparia | Centaurea | Asteraceae | |
Mimosa pigra | Mimosa | Fabaceae | |
Maclura cochinchinensis | Maclura | Moraceae | |
Campanula choziatowskyi | Campanula | Campanulaceae | |
Salvia patens | Salvia | Lamiaceae | |
Dialium excelsum | Dialium | Fabaceae | |
Euphorbia hylonoma | Euphorbia | Euphorbiaceae | |
Senecio platyphylloides | Senecio | Asteraceae | |
Drymaria cordata | Drymaria | Caryophyllaceae | |
Boesenbergia pandurata | Boesenbergia | Zingiberaceae | |
Helleborus macranthus | Helleborus | Ranunculaceae | |
Salix rosmarinifolia | Salix | Salicaceae | |
Heliotropium scabrum | Heliotropium | Heliotropiaceae | |
Podocarpus dacrydioides | Podocarpus | Podocarpaceae | |
Centaurea sonchifolia | Centaurea | Asteraceae | |
Matricaria sabulosa | Matricaria | Asteraceae | |
Pterocaulon serrulatum | Pterocaulon | Asteraceae | |
Boswellia ovalifoliolata | Boswellia | Burseraceae | |
Hardenbergia violacea | Hardenbergia | Fabaceae | |
Lonchocarpus chiricanus | Lonchocarpus | Fabaceae | |
Astragalus circassicus | Astragalus | Fabaceae | |
Erythrina hypaphorus | Erythrina | Fabaceae | |
Beilschmiedia madang | Beilschmiedia | Lauraceae | |
Salvia lavanduloides | Salvia | Lamiaceae | |
Rubia akane | Rubia | Rubiaceae | |
Aniba santalodora | Aniba | Lauraceae | |
Mentzelia decapetala | Mentzelia | Loasaceae | |
Amorphophallus konjac | Amorphophallus | Araceae | |
Gnaphalium affine | Gnaphalium | Asteraceae | |
Salvia virgata | Salvia | Lamiaceae | |
Petunia axillaris subsp. parodii | Petunia | Solanaceae | |
Alpinia blepharocalyx | Alpinia | Zingiberaceae | |
Bethencourtia palmensis | Bethencourtia | Asteraceae | |
Lepechinia urbanii | Lepechinia | Lamiaceae |
Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
NPC129132 | C16H14O5 | Helichrysetin | 286.08 | -1.3354 | 2.67 | 2.32 | 1 | 3 | 86.99 | 8 | 2 | 21 | 0 |
NPC143828 | C20H20O8 | 5-Hydroxyauranetin | 388.12 | -1.563 | 2.78 | 1.957 | 2 | 1 | 92.68 | 12 | 3 | 28 | 0 |
NPC167400 | C6H5NO2 | Niacin | 123.03 | -0.2398 | 1.79 | 0.637 | 3 | 1 | 50.19 | 2 | 1 | 9 | 0 |
NPC176775 | C19H18O7 | Gardenin B | 358.11 | -1.1711 | 2.78 | 1.717 | 1 | 1 | 83.45 | 10 | 3 | 26 | 0 |
NPC211120 | C19H20O5 | 4,2',4',6'-Tetramethoxychalcone | 328.13 | -0.1099 | 3 | 3.448 | 1 | 0 | 53.99 | 11 | 2 | 24 | 0 |
NPC242294 | C18H18O5 | Flavokawain A | 314.12 | -0.5184 | 2.89 | 3.358 | 1 | 1 | 64.99 | 10 | 2 | 23 | 0 |
NPC263670 | C17H16O5 | Flavokawain C | 300.1 | -0.9269 | 2.78 | 2.839 | 1 | 2 | 75.99 | 9 | 2 | 22 | 0 |
NPC292107 | C19H18O7 | 358.1052529 | -1.5112 | 2.78 | 3.034 | 2 | 1 | 83.45 | 10 | 3 | 26 | 0 | |
NPC40818 | C20H20O7 | Tangeretin | 372.12 | -0.7626 | 2.89 | 2.236 | 1 | 0 | 72.45 | 11 | 3 | 27 | 0 |
NPC43243 | C17H14O6 | 314.0790382 | -1.8679 | 2.67 | 3.388 | 2 | 2 | 85.22 | 7 | 3 | 23 | 0 | |
NPC75906 | C20H24O6 | Gnaphalin | 360.16 | -1.8522 | 3 | 0.998 | 5 | 1 | 89.27 | 4 | 5 | 26 | 0 |