28 Known Ingredients in Total
Unique ingredients have been isolated from this plant.
Plant-Ingredients Associations were manually curated from publications or collected from other databases.
13 Ingredients with Available Activity
Unique ingredients have activity data available.
Ingredient Structrual Cards
Ingredient ID: NPC94355
Formula: C18H24N2O3
Ingredient ID: NPC94355
| Common Name | n.a. |
| IUPAC Name | (E)-4-hydroxy-2-methyl-N-[4-[[(E)-3-phenylprop-2-enoyl]amino]butyl]but-2-enamide |
| Canonical SMILES | OC/C=C(/C(=NCCCCN=C(/C=C/c1ccccc1)O)O)C |
| Standard InCHI | InChI=1S/C18H24N2O3/c1-15(11-14-21)18(23)20-13-6-5-12-19-17(22)10-9-16-7-3-2-4-8-16/h2-4,7-11,21H,5-6,12-14H2,1H3,(H,19,22)(H,20,23)/b10-9+,15-11+ |
| Standard InCHIKey | VRQBQHFFHBFLQO-LVICEBGESA-N |
| Ingredient External Links |
PubChem CID: 10980024 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD83718] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Pinus yunnanensis | Pinus | Pinaceae | |
| Salvia trijuga | Salvia | Lamiaceae |
 |
| Erophaca baetica subsp. baetica | Erophaca | Fabaceae | |
| Duguetia chrysocarpa | Duguetia | Annonaceae | |
| Senecio asper | Senecio | Asteraceae | |
| Sechium edule | Sechium | Cucurbitaceae |
 |
| Ammodendron karelinii | Ammodendron | Fabaceae | |
| Citrus japonica | Citrus | Rutaceae |
|
| Aglaia dasyclada | Aglaia | Meliaceae | |
| Pyrola media | Pyrola | Ericaceae | |
| Phaseolus coccineus | Phaseolus | Fabaceae |
 |
Ingredient ID: NPC90336
Formula: C29H28O9
Ingredient ID: NPC90336
| Common Name | 1-O-Formylaglafoline |
| IUPAC Name | methyl (1R,2R,3S,3aR,8bS)-1-formyloxy-8b-hydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylate |
| Canonical SMILES | O=CO[C@@H]1[C@H](C(=O)OC)[C@H]([C@]2([C@]1(O)c1c(OC)cc(cc1O2)OC)c1ccc(cc1)OC)c1ccccc1 |
| Standard InCHI | InChI=1S/C29H28O9/c1-33-19-12-10-18(11-13-19)29-24(17-8-6-5-7-9-17)23(27(31)36-4)26(37-16-30)28(29,32)25-21(35-3)14-20(34-2)15-22(25)38-29/h5-16,23-24,26,32H,1-4H3/t23-,24-,26-,28+,29+/m1/s1 |
| Standard InCHIKey | HMAGEEKSMOZIOP-IDAMAFBJSA-N |
| Ingredient External Links |
PubChem CID: 10839697 ChEMBL ID: CHEMBL558707 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD99103] Database: NPASS [NPC90336] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Pinus yunnanensis | Pinus | Pinaceae | |
| Erophaca baetica subsp. baetica | Erophaca | Fabaceae | |
| Duguetia chrysocarpa | Duguetia | Annonaceae | |
| Senecio asper | Senecio | Asteraceae | |
| Sechium edule | Sechium | Cucurbitaceae |
|
| Ammodendron karelinii | Ammodendron | Fabaceae | |
| Citrus japonica | Citrus | Rutaceae |
|
| Aglaia perviridis | Aglaia | Meliaceae |
|
| Aglaia dasyclada | Aglaia | Meliaceae | |
| Pyrola media | Pyrola | Ericaceae | |
| Phaseolus coccineus | Phaseolus | Fabaceae |
|
Ingredient ID: NPC8587
Formula: C17H30O
Ingredient ID: NPC8587
| Common Name | n.a. |
| IUPAC Name | (9Z)-cycloheptadec-9-en-1-one |
| Canonical SMILES | O=C1CCCCCCC/C=CCCCCCCC1 |
| Standard InCHI | InChI=1S/C17H30O/c18-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-17/h1-2H,3-16H2/b2-1- |
| Standard InCHIKey | ZKVZSBSZTMPBQR-UPHRSURJSA-N |
| Ingredient External Links |
PubChem CID: 5315941 ZINC ID: ZINC000004916317 |
| Plant-Ingredient Association Reference |
Database: UNPD [] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Citrus japonica | Citrus | Rutaceae |
|
Ingredient ID: NPC82295
Formula: C8H7N
Ingredient ID: NPC82295
| Common Name | Indole |
| IUPAC Name | 1H-indole |
| Canonical SMILES | c1ccc2c(c1)[nH]cc2 |
| Standard InCHI | InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H |
| Standard InCHIKey | SIKJAQJRHWYJAI-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 798 ChEMBL ID: CHEMBL15844 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD87342] Database: NPASS [NPC82295] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Artemisia capillaris | Artemisia | Asteraceae |
|
| Akebia trifoliata | Akebia | Lardizabalaceae |
|
| Angelica gigas | Angelica | Apiaceae |
|
| Lonicera japonica | Lonicera | Caprifoliaceae |
|
| Actaea dahurica | Actaea | Ranunculaceae |
|
| Angelica sinensis | Angelica | Apiaceae |
|
| Actaea cimicifuga | Actaea | Ranunculaceae |
|
| Akebia quinata | Akebia | Lardizabalaceae |
 |
| Chimonanthus fragrans | Chimonanthus | Calycanthaceae | |
| Actaea simplex | Actaea | Ranunculaceae | |
| Citrus japonica | Citrus | Rutaceae |
|
| Angelica acutiloba | Angelica | Apiaceae |
|
| Pycnarrhena ozantha | Pycnarrhena | Menispermaceae | |
| Camellia sinensis | Camellia | Theaceae |
|
Ingredient ID: NPC73422
Formula: C28H28O8
Ingredient ID: NPC73422
| Common Name | Aglafolin |
| IUPAC Name | methyl (1R,2R,3S,3aR,8bS)-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylate |
| Canonical SMILES | COc1ccc(cc1)[C@]12Oc3c([C@]2(O)[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)OC)O)c(OC)cc(c3)OC |
| Standard InCHI | InChI=1S/C28H28O8/c1-32-18-12-10-17(11-13-18)28-23(16-8-6-5-7-9-16)22(26(30)35-4)25(29)27(28,31)24-20(34-3)14-19(33-2)15-21(24)36-28/h5-15,22-23,25,29,31H,1-4H3/t22-,23-,25-,27+,28+/m1/s1 |
| Standard InCHIKey | VFTGDXPPYSWBSO-GWNOIRNCSA-N |
| Ingredient External Links |
PubChem CID: 393601 ZINC ID: ZINC000005922875 ChEMBL ID: CHEMBL394528 |
| Plant-Ingredient Association Reference |
Database: UNPD [] Database: NPASS [NPC73422] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Pinus yunnanensis | Pinus | Pinaceae | |
| Erophaca baetica subsp. baetica | Erophaca | Fabaceae | |
| Duguetia chrysocarpa | Duguetia | Annonaceae | |
| Senecio asper | Senecio | Asteraceae | |
| Sechium edule | Sechium | Cucurbitaceae |
|
| Ammodendron karelinii | Ammodendron | Fabaceae | |
| Citrus japonica | Citrus | Rutaceae |
|
| Aglaia odorata | Aglaia | Meliaceae |
|
| Aglaia rubiginosa | Aglaia | Meliaceae | |
| Aglaia perviridis | Aglaia | Meliaceae |
|
| Aglaia dasyclada | Aglaia | Meliaceae | |
| Pyrola media | Pyrola | Ericaceae | |
| Phaseolus coccineus | Phaseolus | Fabaceae |
|
Ingredient ID: NPC69127
Formula: C28H28O9
Ingredient ID: NPC69127
| Common Name | n.a. |
| IUPAC Name | methyl (1R,2R,3S,3aR,8bS)-1,8b-dihydroxy-3a-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxy-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylate |
| Canonical SMILES | COc1cc(OC)c2c(c1)O[C@@]1([C@@]2(O)[C@H](O)[C@@H]([C@H]1c1ccccc1)C(=O)OC)c1ccc(c(c1)O)OC |
| Standard InCHI | InChI=1S/C28H28O9/c1-33-17-13-20(35-3)24-21(14-17)37-28(16-10-11-19(34-2)18(29)12-16)23(15-8-6-5-7-9-15)22(26(31)36-4)25(30)27(24,28)32/h5-14,22-23,25,29-30,32H,1-4H3/t22-,23-,25-,27+,28+/m1/s1 |
| Standard InCHIKey | MKTMWKCGQTXSNC-GWNOIRNCSA-N |
| Ingredient External Links |
PubChem CID: 10815498 ZINC ID: ZINC000014687595 |
| Plant-Ingredient Association Reference |
Database: UNPD [] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Pinus yunnanensis | Pinus | Pinaceae | |
| Duguetia chrysocarpa | Duguetia | Annonaceae | |
| Sechium edule | Sechium | Cucurbitaceae |
|
| Ammodendron karelinii | Ammodendron | Fabaceae | |
| Citrus japonica | Citrus | Rutaceae |
|
| Phaseolus coccineus | Phaseolus | Fabaceae |
|
Ingredient ID: NPC62392
Formula: C18H26N2O3
Ingredient ID: NPC62392
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | OCC[C@@H](C(=NCCCCN=C(/C=C/c1ccccc1)O)O)C |
| Standard InCHI | InChI=1S/C18H26N2O3/c1-15(11-14-21)18(23)20-13-6-5-12-19-17(22)10-9-16-7-3-2-4-8-16/h2-4,7-10,15,21H,5-6,11-14H2,1H3,(H,19,22)(H,20,23)/b10-9+/t15-/m0/s1 |
| Standard InCHIKey | AZFOWFPALBQOTD-FEAKQIBJSA-N |
| Ingredient External Links | |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD137080] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Pinus yunnanensis | Pinus | Pinaceae | |
| Duguetia chrysocarpa | Duguetia | Annonaceae | |
| Sechium edule | Sechium | Cucurbitaceae |
|
| Ammodendron karelinii | Ammodendron | Fabaceae | |
| Citrus japonica | Citrus | Rutaceae |
|
| Phaseolus coccineus | Phaseolus | Fabaceae |
|
Ingredient ID: NPC40818
Formula: C20H20O7
Ingredient ID: NPC40818
| 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 |
Database: NPASS [NPC40818] |
Distribution of the ingredient across plants
| 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: NPC295219
Formula: C17H24N2O3
Ingredient ID: NPC295219
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | OC[C@@H](C(=NCCCCN=C(/C=C/c1ccccc1)O)O)C |
| Standard InCHI | InChI=1S/C17H24N2O3/c1-14(13-20)17(22)19-12-6-5-11-18-16(21)10-9-15-7-3-2-4-8-15/h2-4,7-10,14,20H,5-6,11-13H2,1H3,(H,18,21)(H,19,22)/b10-9+/t14-/m0/s1 |
| Standard InCHIKey | YDWIIBRQNZACSH-HBWSCVEGSA-N |
| Ingredient External Links | |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD60156] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Pinus yunnanensis | Pinus | Pinaceae | |
| Duguetia chrysocarpa | Duguetia | Annonaceae | |
| Sechium edule | Sechium | Cucurbitaceae |
|
| Ammodendron karelinii | Ammodendron | Fabaceae | |
| Citrus japonica | Citrus | Rutaceae |
|
| Phaseolus coccineus | Phaseolus | Fabaceae |
|
Ingredient ID: NPC281034
Formula: C29H28O10
Ingredient ID: NPC281034
| Common Name | n.a. |
| IUPAC Name | methyl (1R,2R,3S,3aR,8bS)-1-formyloxy-8b-hydroxy-3a-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxy-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylate |
| Canonical SMILES | O=CO[C@@H]1[C@H](C(=O)OC)[C@H]([C@]2([C@]1(O)c1c(OC)cc(cc1O2)OC)c1ccc(c(c1)O)OC)c1ccccc1 |
| Standard InCHI | InChI=1S/C29H28O10/c1-34-18-13-21(36-3)25-22(14-18)39-29(17-10-11-20(35-2)19(31)12-17)24(16-8-6-5-7-9-16)23(27(32)37-4)26(38-15-30)28(25,29)33/h5-15,23-24,26,31,33H,1-4H3/t23-,24-,26-,28+,29+/m1/s1 |
| Standard InCHIKey | XPXOKOTZMIKMIQ-IDAMAFBJSA-N |
| Ingredient External Links |
PubChem CID: 10650033 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD42596] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Pinus yunnanensis | Pinus | Pinaceae | |
| Duguetia chrysocarpa | Duguetia | Annonaceae | |
| Sechium edule | Sechium | Cucurbitaceae |
|
| Ammodendron karelinii | Ammodendron | Fabaceae | |
| Citrus japonica | Citrus | Rutaceae |
|
| Phaseolus coccineus | Phaseolus | Fabaceae |
|
Ingredient ID: NPC273340
Formula: C31H42N4O4
Ingredient ID: NPC273340
| Common Name | n.a. |
| IUPAC Name | (2S)-2-(dimethylamino)-N-[(2Z,6S,9S,10S)-6-(2-methylpropyl)-5,8-dioxo-10-propan-2-yl-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),2,12,15-tetraen-9-yl]-3-phenylpropanamide |
| Canonical SMILES | CC(C[C@@H]1N=C(O)[C@@H](N=C([C@@H](N(C)C)Cc2ccccc2)O)[C@@H](Oc2ccc(/C=CN=C1O)cc2)C(C)C)C |
| Standard InCHI | InChI=1S/C31H42N4O4/c1-20(2)18-25-29(36)32-17-16-22-12-14-24(15-13-22)39-28(21(3)4)27(31(38)33-25)34-30(37)26(35(5)6)19-23-10-8-7-9-11-23/h7-17,20-21,25-28H,18-19H2,1-6H3,(H,32,36)(H,33,38)(H,34,37)/b17-16-/t25-,26-,27-,28-/m0/s1 |
| Standard InCHIKey | TVUQUDJOLFMOKT-SPZUWTHGSA-N |
| Ingredient External Links |
PubChem CID: 11731186 |
| Plant-Ingredient Association Reference |
Database: TCMID [7936] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Citrus japonica | Citrus | Rutaceae |
|
Ingredient ID: NPC265319
Formula: C2H7N
Ingredient ID: NPC265319
| Common Name | n.a. |
| IUPAC Name | ethanamine |
| Canonical SMILES | CCN |
| Standard InCHI | InChI=1S/C2H7N/c1-2-3/h2-3H2,1H3 |
| Standard InCHIKey | QUSNBJAOOMFDIB-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 6341 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD187516] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Prunus dulcis | Prunus | Rosaceae |
|
| Pyrus pyraster | Pyrus | Rosaceae |
|
| Astragalus oxyphysus | Astragalus | Fabaceae | |
| Hydrodictyon reticulatum | Hydrodictyon | Hydrodictyaceae |
|
| Senecio candollei | Senecio | Asteraceae | |
| Polyscias scutellaria | Polyscias | Araliaceae |
|
| Centaurea glastifolia | Centaurea | Asteraceae | |
| Grindelia havardii | Grindelia | Asteraceae | |
| Nephelium maingayi | Nephelium | Sapindaceae |
|
| Galanthus nivalis | Galanthus | Amaryllidaceae |
|
| Euphorbia armena | Euphorbia | Euphorbiaceae | |
| Citrus japonica | Citrus | Rutaceae |
|
| Cuscuta reflexa | Cuscuta | Convolvulaceae |
|
| Plantago depressa | Plantago | Plantaginaceae |
|
Ingredient ID: NPC263955
Formula: C29H26O10
Ingredient ID: NPC263955
| Common Name | Methyl 1-Formyloxy-4'-Demethoxy-3',4'-Methylenedioxyrocaglate |
| IUPAC Name | methyl (1R,2R,3S,3aR,8bS)-3a-(1,3-benzodioxol-5-yl)-1-formyloxy-8b-hydroxy-6,8-dimethoxy-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylate |
| Canonical SMILES | O=CO[C@@H]1[C@H](C(=O)OC)[C@H]([C@]2([C@]1(O)c1c(OC)cc(cc1O2)OC)c1ccc2c(c1)OCO2)c1ccccc1 |
| Standard InCHI | InChI=1S/C29H26O10/c1-33-18-12-21(34-2)25-22(13-18)39-29(17-9-10-19-20(11-17)38-15-37-19)24(16-7-5-4-6-8-16)23(27(31)35-3)26(36-14-30)28(25,29)32/h4-14,23-24,26,32H,15H2,1-3H3/t23-,24-,26-,28+,29+/m1/s1 |
| Standard InCHIKey | XKYRDXZNJADCQR-IDAMAFBJSA-N |
| Ingredient External Links |
PubChem CID: 10721063 ChEMBL ID: CHEMBL2331811 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD132112] Database: NPASS [NPC263955] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Pinus yunnanensis | Pinus | Pinaceae | |
| Duguetia chrysocarpa | Duguetia | Annonaceae | |
| Sechium edule | Sechium | Cucurbitaceae |
|
| Ammodendron karelinii | Ammodendron | Fabaceae | |
| Citrus japonica | Citrus | Rutaceae |
|
| Aglaia perviridis | Aglaia | Meliaceae |
|
| Phaseolus coccineus | Phaseolus | Fabaceae |
|
Ingredient ID: NPC261195
Formula: C9H9N
Ingredient ID: NPC261195
| Common Name | 3-Methyl-1H-Indole |
| IUPAC Name | 3-methyl-1H-indole |
| Canonical SMILES | Cc1c[nH]c2c1cccc2 |
| Standard InCHI | InChI=1S/C9H9N/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6,10H,1H3 |
| Standard InCHIKey | ZFRKQXVRDFCRJG-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 6736 ChEMBL ID: CHEMBL1329793 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD133492] Database: NPASS [NPC261195] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Beta vulgaris | Beta | Chenopodiaceae |
|
| Citrus japonica | Citrus | Rutaceae |
|
| Gardenia jasminoides | Gardenia | Rubiaceae |
|
Ingredient ID: NPC239350
Formula: C21H20O11
Ingredient ID: NPC239350
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1ccc(cc1O)c1oc2cc(O)cc(c2c(=O)c1O[C@H]1OC[C@@H]([C@H]([C@@H]1O)O)O)O |
| Standard InCHI | InChI=1S/C21H20O11/c1-29-13-3-2-8(4-10(13)23)19-20(32-21-18(28)16(26)12(25)7-30-21)17(27)15-11(24)5-9(22)6-14(15)31-19/h2-6,12,16,18,21-26,28H,7H2,1H3/t12-,16+,18-,21+/m0/s1 |
| Standard InCHIKey | YKOWBKFKXBRZQS-UBTUTIANSA-N |
| Ingredient External Links | |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD25575] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Citrus japonica | Citrus | Rutaceae |
|
Ingredient ID: NPC23593
Formula: C28H26O9
Ingredient ID: NPC23593
| Common Name | Methyl (1R,2R,3S,3Ar,8Bs)-3A-(1,3-Benzodioxol-5-Yl)-1,8B-Dihydroxy-6,8-Dimethoxy-3-Phenyl-2,3-Dihydro-1H-Cyclopenta[B][1]Benzofuran-2-Carboxylate |
| IUPAC Name | methyl (1R,2R,3S,3aR,8bS)-3a-(1,3-benzodioxol-5-yl)-1,8b-dihydroxy-6,8-dimethoxy-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylate |
| Canonical SMILES | COC(=O)[C@@H]1[C@@H](c2ccccc2)[C@]2([C@]([C@@H]1O)(O)c1c(O2)cc(cc1OC)OC)c1ccc2c(c1)OCO2 |
| Standard InCHI | InChI=1S/C28H26O9/c1-32-17-12-20(33-2)24-21(13-17)37-28(16-9-10-18-19(11-16)36-14-35-18)23(15-7-5-4-6-8-15)22(26(30)34-3)25(29)27(24,28)31/h4-13,22-23,25,29,31H,14H2,1-3H3/t22-,23-,25-,27+,28+/m1/s1 |
| Standard InCHIKey | SAGBWAVFZFVBBQ-GWNOIRNCSA-N |
| Ingredient External Links |
PubChem CID: 390507 ZINC ID: ZINC000005838849 ChEMBL ID: CHEMBL1986494 |
| Plant-Ingredient Association Reference |
Database: UNPD [] Database: NPASS [NPC23593] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Pinus yunnanensis | Pinus | Pinaceae | |
| Erophaca baetica subsp. baetica | Erophaca | Fabaceae | |
| Duguetia chrysocarpa | Duguetia | Annonaceae | |
| Senecio asper | Senecio | Asteraceae | |
| Sechium edule | Sechium | Cucurbitaceae |
|
| Ammodendron karelinii | Ammodendron | Fabaceae | |
| Citrus japonica | Citrus | Rutaceae |
|
| Aglaia perviridis | Aglaia | Meliaceae |
|
| Aglaia dasyclada | Aglaia | Meliaceae | |
| Pyrola media | Pyrola | Ericaceae | |
| Phaseolus coccineus | Phaseolus | Fabaceae |
|
Ingredient ID: NPC22062
Formula: C28H32O14
Ingredient ID: NPC22062
| Common Name | Gnf-Pf-2160 |
| IUPAC Name | 5-hydroxy-2-(4-methoxyphenyl)-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one |
| Canonical SMILES | COc1ccc(cc1)c1cc(=O)c2c(o1)cc(cc2O)OC1OC(COC2OC(C)C(C(C2O)O)O)C(C(C1O)O)O |
| Standard InCHI | InChI=1S/C28H32O14/c1-11-21(31)23(33)25(35)27(39-11)38-10-19-22(32)24(34)26(36)28(42-19)40-14-7-15(29)20-16(30)9-17(41-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-9,11,19,21-29,31-36H,10H2,1-2H3 |
| Standard InCHIKey | YFVGIJBUXMQFOF-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 5480901 ChEMBL ID: CHEMBL601333 |
| Plant-Ingredient Association Reference |
Database: NPASS [NPC22062] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Cephalotaxus fortunei | Cephalotaxus | Taxaceae |
|
| Citrus japonica | Citrus | Rutaceae |
|
Ingredient ID: NPC189730
Formula: C26H24O7
Ingredient ID: NPC189730
| Common Name | 4'-Demethoxy-3',4'-Methylenedioxyrocaglaol |
| IUPAC Name | (1R,3S,3aR,8bS)-3a-(1,3-benzodioxol-5-yl)-6,8-dimethoxy-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-1,8b-diol |
| Canonical SMILES | COc1cc2O[C@@]3([C@@](c2c(c1)OC)(O)[C@@H](C[C@H]3c1ccccc1)O)c1ccc2c(c1)OCO2 |
| Standard InCHI | InChI=1S/C26H24O7/c1-29-17-11-21(30-2)24-22(12-17)33-26(16-8-9-19-20(10-16)32-14-31-19)18(13-23(27)25(24,26)28)15-6-4-3-5-7-15/h3-12,18,23,27-28H,13-14H2,1-2H3/t18-,23+,25+,26-/m0/s1 |
| Standard InCHIKey | ZPHNJERYFDKEMS-LHVBDCGNSA-N |
| Ingredient External Links |
PubChem CID: 10623340 ChEMBL ID: CHEMBL2332223 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD21925] Database: NPASS [NPC189730] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Pinus yunnanensis | Pinus | Pinaceae | |
| Duguetia chrysocarpa | Duguetia | Annonaceae | |
| Sechium edule | Sechium | Cucurbitaceae |
|
| Ammodendron karelinii | Ammodendron | Fabaceae | |
| Citrus japonica | Citrus | Rutaceae |
|
| Aglaia perviridis | Aglaia | Meliaceae |
|
| Phaseolus coccineus | Phaseolus | Fabaceae |
|
Ingredient ID: NPC184607
Formula: C26H26O6
Ingredient ID: NPC184607
| Common Name | Rocaglaol |
| IUPAC Name | (1R,3S,3aR,8bS)-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-1,8b-diol |
| Canonical SMILES | COc1ccc(cc1)[C@]12Oc3c([C@]2(O)[C@@H](C[C@H]1c1ccccc1)O)c(OC)cc(c3)OC |
| Standard InCHI | InChI=1S/C26H26O6/c1-29-18-11-9-17(10-12-18)26-20(16-7-5-4-6-8-16)15-23(27)25(26,28)24-21(31-3)13-19(30-2)14-22(24)32-26/h4-14,20,23,27-28H,15H2,1-3H3/t20-,23+,25+,26-/m0/s1 |
| Standard InCHIKey | RRVZOJQBRVGMMK-HCBGRYSISA-N |
| Ingredient External Links |
PubChem CID: 393602 ChEMBL ID: CHEMBL468454 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD24520] Database: NPASS [NPC184607] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Pinus yunnanensis | Pinus | Pinaceae | |
| Erophaca baetica subsp. baetica | Erophaca | Fabaceae | |
| Duguetia chrysocarpa | Duguetia | Annonaceae | |
| Senecio asper | Senecio | Asteraceae | |
| Sechium edule | Sechium | Cucurbitaceae |
|
| Ammodendron karelinii | Ammodendron | Fabaceae | |
| Citrus japonica | Citrus | Rutaceae |
|
| Aglaia odorata | Aglaia | Meliaceae |
|
| Aglaia perviridis | Aglaia | Meliaceae |
|
| Aglaia laxiflora | Aglaia | Meliaceae |
|
| Aglaia dasyclada | Aglaia | Meliaceae | |
| Pyrola media | Pyrola | Ericaceae | |
| Phaseolus coccineus | Phaseolus | Fabaceae |
|
Ingredient ID: NPC169575
Formula: C20H26O5
Ingredient ID: NPC169575
| Common Name | Nobilin |
| IUPAC Name | [(3aR,4S,6E,9S,10Z,11aR)-9-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (Z)-2-methylbut-2-enoate |
| Canonical SMILES | C/C=C(C(=O)O[C@H]1C/C(=C/C[C@@H](/C(=C[C@@H]2[C@@H]1C(=C)C(=O)O2)/C)O)/C)/C |
| Standard InCHI | InChI=1S/C20H26O5/c1-6-12(3)19(22)24-16-9-11(2)7-8-15(21)13(4)10-17-18(16)14(5)20(23)25-17/h6-7,10,15-18,21H,5,8-9H2,1-4H3/b11-7+,12-6-,13-10-/t15-,16-,17+,18+/m0/s1 |
| Standard InCHIKey | QFINJHBXXJQKPB-YVRWQVCISA-N |
| Ingredient External Links |
PubChem CID: 11953937 ChEMBL ID: CHEMBL2380798 |
| Plant-Ingredient Association Reference |
Database: NPASS [NPC169575] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Tripterygium wilfordii | Tripterygium | Celastraceae |
|
| Chamaemelum nobile | Chamaemelum | Asteraceae |
|
| Citrus tankan | Citrus | Rutaceae |
|
| Citrus reticulata | Citrus | Rutaceae |
|
| Citrus japonica | Citrus | Rutaceae |
|
| Citrus aurantium | Citrus | Rutaceae |
|
Ingredient ID: NPC167667
Formula: C29H30O9
Ingredient ID: NPC167667
| Common Name | n.a. |
| IUPAC Name | methyl (1R,2R,3S,3aR,8bS)-3a-(3,4-dimethoxyphenyl)-1,8b-dihydroxy-6,8-dimethoxy-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylate |
| Canonical SMILES | COc1cc(OC)c2c(c1)O[C@@]1([C@@]2(O)[C@H](O)[C@@H]([C@H]1c1ccccc1)C(=O)OC)c1ccc(c(c1)OC)OC |
| Standard InCHI | InChI=1S/C29H30O9/c1-33-18-14-21(36-4)25-22(15-18)38-29(17-11-12-19(34-2)20(13-17)35-3)24(16-9-7-6-8-10-16)23(27(31)37-5)26(30)28(25,29)32/h6-15,23-24,26,30,32H,1-5H3/t23-,24-,26-,28+,29+/m1/s1 |
| Standard InCHIKey | OWHOEKLNSDNYTQ-IDAMAFBJSA-N |
| Ingredient External Links |
PubChem CID: 10720804 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD79517] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Pinus yunnanensis | Pinus | Pinaceae | |
| Duguetia chrysocarpa | Duguetia | Annonaceae | |
| Sechium edule | Sechium | Cucurbitaceae |
|
| Ammodendron karelinii | Ammodendron | Fabaceae | |
| Citrus japonica | Citrus | Rutaceae |
|
| Phaseolus coccineus | Phaseolus | Fabaceae |
|
Ingredient ID: NPC164843
Formula: C35H36N2O9
Ingredient ID: NPC164843
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1c2OCOc2cc2c1[C@]1(O)C(=O)[C@@H]([C@H]([C@@]1(O2)c1ccc(cc1)OC)c1ccccc1)C(=O)N1CCC[C@@H]1N=C(C(C)C)O |
| Standard InCHI | InChI=1S/C35H36N2O9/c1-19(2)32(39)36-25-11-8-16-37(25)33(40)26-27(20-9-6-5-7-10-20)35(21-12-14-22(42-3)15-13-21)34(41,31(26)38)28-23(46-35)17-24-29(30(28)43-4)45-18-44-24/h5-7,9-10,12-15,17,19,25-27,41H,8,11,16,18H2,1-4H3,(H,36,39)/t25-,26-,27-,34+,35+/m1/s1 |
| Standard InCHIKey | BJIDEXYWQKFHOB-QPRNYPETSA-N |
| Ingredient External Links | |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD67667] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Pinus yunnanensis | Pinus | Pinaceae | |
| Duguetia chrysocarpa | Duguetia | Annonaceae | |
| Sechium edule | Sechium | Cucurbitaceae |
|
| Ammodendron karelinii | Ammodendron | Fabaceae | |
| Citrus japonica | Citrus | Rutaceae |
|
| Phaseolus coccineus | Phaseolus | Fabaceae |
|
Ingredient ID: NPC164490
Formula: C22H22O12
Ingredient ID: NPC164490
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | OC[C@@H]1O[C@@H](Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2ccc(c(c2)O)OC)[C@H]([C@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C22H22O12/c1-31-12-3-2-8(4-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18-,19-,22-/m0/s1 |
| Standard InCHIKey | JXASPPWQHFOWPL-FKTFMUQYSA-N |
| Ingredient External Links | |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD28463] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Citrus japonica | Citrus | Rutaceae |
|
Ingredient ID: NPC161520
Formula: C19H22N2
Ingredient ID: NPC161520
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | CC[C@@]12CCCN3[C@H]2c2n(C=C1)c1c(c2CC3)cccc1 |
| Standard InCHI | InChI=1S/C19H22N2/c1-2-19-9-5-11-20-12-8-15-14-6-3-4-7-16(14)21(13-10-19)17(15)18(19)20/h3-4,6-7,10,13,18H,2,5,8-9,11-12H2,1H3/t18-,19+/m0/s1 |
| Standard InCHIKey | VKTOXAGUZWAECL-RBUKOAKNSA-N |
| Ingredient External Links |
PubChem CID: 6857502 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD196172] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Citrus japonica | Citrus | Rutaceae |
|
Ingredient ID: NPC142860
Formula: C27H32O14
Ingredient ID: NPC142860
| Common Name | Naringin |
| IUPAC Name | (2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)O[C@@H](CC3=O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C27H32O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-7,10,16,18,20-30,32-36H,8-9H2,1H3/t10-,16-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1 |
| Standard InCHIKey | DFPMSGMNTNDNHN-ZPHOTFPESA-N |
| Ingredient External Links |
PubChem CID: 442428 ChEMBL ID: CHEMBL451532 |
| Plant-Ingredient Association Reference |
Database: NPASS [NPC142860] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Citrus unshiu | Citrus | Rutaceae |
|
| Tripterygium wilfordii | Tripterygium | Celastraceae |
|
| Cytisus austriacus | Cytisus | Fabaceae | |
| Chromolaena odorata | Chromolaena | Asteraceae |
|
| Astragalus mongholicus | Astragalus | Fabaceae |
|
| Citrus medica | Citrus | Rutaceae |
|
| Glycyrrhiza | Glycyrrhiza | Fabaceae |
|
| Scutellaria barbata | Scutellaria | Lamiaceae |
|
| Citrus wilsonii | Citrus | Rutaceae |
|
| Clematis terniflora var. mandshurica | Clematis | Ranunculaceae |
|
| Helianthus maximiliani | Helianthus | Asteraceae |
|
| Ilex affinis | Ilex | Aquifoliaceae |
|
| Anaxagorea clavata | Anaxagorea | Annonaceae | |
| Citrus tankan | Citrus | Rutaceae |
|
| Helianthus niveus | Helianthus | Asteraceae |
|
| Citrus sinensis | Citrus | Rutaceae |
|
| Stenostomum lucidum | Stenostomum | Rubiaceae | |
| Beyeria brevifolia | Beyeria | Euphorbiaceae | |
| Sophora japonica | Sophora | Fabaceae |
|
| Rheum officinale | Rheum | Polygonaceae |
|
| Rhododendron dauricum | Rhododendron | Ericaceae |
|
| Centaurea spinosa | Centaurea | Asteraceae | |
| Citrus trifoliata | Citrus | Rutaceae |
|
| Kaempferia pulchra | Kaempferia | Zingiberaceae |
|
| Drosera peltata | Drosera | Droseraceae |
|
| Ageratum conyzoides | Ageratum | Asteraceae |
|
| Arnica nevadensis | Arnica | Asteraceae | |
| Odixia angusta | Odixia | Asteraceae | |
| Prunus laurocerasus | Prunus | Rosaceae |
|
| Drynaria fortunei | Drynaria | Polypodiaceae |
|
| Ficus formosana | Ficus | Moraceae |
|
| Dipterocarpus alatus | Dipterocarpus | Dipterocarpaceae |
|
| Echinops amplexicaulis | Echinops | Asteraceae |
|
| Quercus aegilops | Quercus | Fagaceae |
|
| Chloranthus tianmushanensis | Chloranthus | Chloranthaceae | |
| Prosopis glandulosa | Prosopis | Fabaceae |
|
| Astragalus membranaceus | Astragalus | 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 | |
| Rheum coreanum | Rheum | Polygonaceae | |
| 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 | |
| Citrus maxima | Citrus | Rutaceae |
|
| Citrus japonica | Citrus | Rutaceae |
|
| Rheum palmatum | Rheum | Polygonaceae |
|
| Morus alba | Morus | Moraceae |
|
| Sesbania punicea | Sesbania | Fabaceae | |
| Prunus mume | Prunus | Rosaceae |
|
| Citrus grandis | Citrus | Rutaceae |
|
| Helianthus annuus | Helianthus | Asteraceae |
|
| Portulaca oleracea | Portulaca | Portulacaceae |
|
| Citrus natsudaidai | Citrus | Rutaceae |
|
| Salvia officinalis | Salvia | Lamiaceae |
|
| Securidaca inappendiculata | Securidaca | Polygalaceae |
|
| Hedysarum polybotrys | Hedysarum | Fabaceae |
|
| Citrus aurantium | Citrus | Rutaceae |
|
| Pteris prolifera | Pteris | Pteridaceae | |
| Rheum tanguticum | Rheum | Polygonaceae |
|
| Crocus sativus | Crocus | Iridaceae |
|
Ingredient ID: NPC136275
Formula: C30H28O10
Ingredient ID: NPC136275
| Common Name | n.a. |
| IUPAC Name | methyl (1R,2R,3S,3aR,8bS)-1-acetyloxy-3a-(1,3-benzodioxol-5-yl)-8b-hydroxy-6,8-dimethoxy-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylate |
| Canonical SMILES | COC(=O)[C@@H]1[C@@H](c2ccccc2)[C@]2([C@]([C@@H]1OC(=O)C)(O)c1c(O2)cc(cc1OC)OC)c1ccc2c(c1)OCO2 |
| Standard InCHI | InChI=1S/C30H28O10/c1-16(31)39-27-24(28(32)36-4)25(17-8-6-5-7-9-17)30(18-10-11-20-21(12-18)38-15-37-20)29(27,33)26-22(35-3)13-19(34-2)14-23(26)40-30/h5-14,24-25,27,33H,15H2,1-4H3/t24-,25-,27-,29+,30+/m1/s1 |
| Standard InCHIKey | LKTVHWYLAFQHAX-KKPOPCGDSA-N |
| Ingredient External Links |
PubChem CID: 10697870 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD85860] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Pinus yunnanensis | Pinus | Pinaceae | |
| Duguetia chrysocarpa | Duguetia | Annonaceae | |
| Sechium edule | Sechium | Cucurbitaceae |
|
| Ammodendron karelinii | Ammodendron | Fabaceae | |
| Citrus japonica | Citrus | Rutaceae |
|
| Phaseolus coccineus | Phaseolus | Fabaceae |
|
Ingredient ID: NPC13625
Formula: C3H9N
Ingredient ID: NPC13625
| Common Name | n.a. |
| IUPAC Name | propan-1-amine |
| Canonical SMILES | CCCN |
| Standard InCHI | InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3 |
| Standard InCHIKey | WGYKZJWCGVVSQN-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 7852 ZINC ID: ZINC000016052656 |
| Plant-Ingredient Association Reference |
Database: UNPD [] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Prunus dulcis | Prunus | Rosaceae |
|
| Pyrus pyraster | Pyrus | Rosaceae |
|
| Astragalus oxyphysus | Astragalus | Fabaceae | |
| Hydrodictyon reticulatum | Hydrodictyon | Hydrodictyaceae |
|
| Senecio candollei | Senecio | Asteraceae | |
| Polyscias scutellaria | Polyscias | Araliaceae |
|
| Centaurea glastifolia | Centaurea | Asteraceae | |
| Grindelia havardii | Grindelia | Asteraceae | |
| Nephelium maingayi | Nephelium | Sapindaceae |
|
| Galanthus nivalis | Galanthus | Amaryllidaceae |
|
| Euphorbia armena | Euphorbia | Euphorbiaceae | |
| Citrus japonica | Citrus | Rutaceae |
|
| Cuscuta reflexa | Cuscuta | Convolvulaceae |
|
| Plantago depressa | Plantago | Plantaginaceae |
|
Ingredient ID: NPC110639
Formula: C20H20O7
Ingredient ID: NPC110639
| Common Name | 5,7,8,3',4'-Pentamethoxyflavone |
| IUPAC Name | 2-(3,4-dimethoxyphenyl)-5,7,8-trimethoxychromen-4-one |
| Canonical SMILES | COc1cc(ccc1OC)c1cc(=O)c2c(o1)c(OC)c(cc2OC)OC |
| Standard InCHI | InChI=1S/C20H20O7/c1-22-13-7-6-11(8-15(13)23-2)14-9-12(21)18-16(24-3)10-17(25-4)19(26-5)20(18)27-14/h6-10H,1-5H3 |
| Standard InCHIKey | UYCWETIUOAGWIL-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 632135 ZINC ID: ZINC000014645298 ChEMBL ID: CHEMBL451707 |
| Plant-Ingredient Association Reference |
Database: NPASS [NPC110639] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Citrus unshiu | Citrus | Rutaceae |
|
| Citrus aurantiifolia | Citrus | Rutaceae |
|
| Chromolaena odorata | Chromolaena | Asteraceae |
|
| Ilex affinis | Ilex | Aquifoliaceae |
|
| Anaxagorea clavata | Anaxagorea | Annonaceae | |
| Citrus tankan | Citrus | Rutaceae |
|
| Citrus sinensis | Citrus | Rutaceae |
|
| Stenostomum lucidum | Stenostomum | Rubiaceae | |
| Beyeria brevifolia | Beyeria | Euphorbiaceae | |
| 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 | |
| Acorus calamus | Acorus | Acoraceae |
|
| Vitex madiensis | Vitex | Lamiaceae |
|
| Agnorhiza bolanderi | Agnorhiza | Asteraceae | |
| Citrus japonica | Citrus | Rutaceae |
|
| Sesbania punicea | Sesbania | Fabaceae | |
| Citrus reticulate | Citrus | Rutaceae | |
| Nelumbo nucifera | Nelumbo | Nelumbonaceae |
|
| Citrus natsudaidai | Citrus | Rutaceae |
|
| Salvia officinalis | Salvia | Lamiaceae |
|
| Securidaca inappendiculata | Securidaca | Polygalaceae |
|
| Citrus aurantium | Citrus | Rutaceae |
|
| Pteris prolifera | Pteris | Pteridaceae |
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| NPC110639 | C20H20O7 | 5,7,8,3',4'-Pentamethoxyflavone | 372.12 | -0.7626 | 2.89 | 2.236 | 1 | 0 | 72.45 | 11 | 3 | 27 | 0 |
| NPC13625 | C3H9N | propan-1-amine | 59.07349929 | -0.975 | 1.68 | 0.215 | 1 | 1 | 26.02 | 1 | 0 | 4 | 0 |
| NPC136275 | C30H28O10 | methyl (1R,2R,3S,3aR,8bS)-1-acetyloxy-3a-(1,3-benzodioxol-5-yl)-8b-hydroxy-6,8-dimethoxy-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylate | 548.1682471 | -1.9865 | 3.66 | 4.761 | 5 | 1 | 118.98 | 8 | 6 | 40 | 0 |
| NPC142860 | C27H32O14 | Naringin | 580.18 | -4.8082 | 2.89 | -1.045 | 10 | 8 | 225.06 | 15 | 5 | 41 | 1 |
| NPC161520 | C19H22N2 | 278.1782987 | -0.0869 | 3.33 | 4.744 | 2 | 0 | 8.17 | 1 | 5 | 21 | 0 | |
| NPC164490 | C22H22O12 | 478.1111261 | -4.4836 | 2.56 | -0.264 | 7 | 7 | 195.6 | 5 | 4 | 34 | 1 | |
| NPC164843 | C35H36N2O9 | 628.2420807 | -3.0993 | 4.1 | 4.931 | 6 | 2 | 136.35 | 8 | 7 | 46 | 0 | |
| NPC167667 | C29H30O9 | methyl (1R,2R,3S,3aR,8bS)-3a-(3,4-dimethoxyphenyl)-1,8b-dihydroxy-6,8-dimethoxy-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylate | 522.1889825 | -2.1665 | 3.66 | 4.952 | 4 | 2 | 112.91 | 8 | 5 | 38 | 0 |
| NPC169575 | C20H26O5 | Nobilin | 346.18 | 2.9122 | 3.11 | 1.985 | 5 | 1 | 72.83 | 8 | 2 | 25 | 0 |
| NPC184607 | C26H26O6 | Rocaglaol | 434.17 | -1.629 | 3.66 | 5.594 | 2 | 2 | 77.38 | 10 | 5 | 32 | 1 |
| NPC189730 | C26H24O7 | 4'-Demethoxy-3',4'-Methylenedioxyrocaglaol | 448.15 | -1.8799 | 3.55 | 5.077 | 2 | 2 | 86.61 | 8 | 6 | 33 | 1 |
| NPC22062 | C28H32O14 | Gnf-Pf-2160 | 592.18 | -4.4698 | 3 | 0.144 | 10 | 7 | 214.06 | 16 | 5 | 42 | 1 |
| NPC23593 | C28H26O9 | Methyl (1R,2R,3S,3Ar,8Bs)-3A-(1,3-Benzodioxol-5-Yl)-1,8B-Dihydroxy-6,8-Dimethoxy-3-Phenyl-2,3-Dihydro-1H-Cyclopenta[B][1]Benzofuran-2-Carboxylate | 506.16 | -2.3656 | 3.55 | 4.879 | 4 | 2 | 112.91 | 11 | 6 | 37 | 0 |
| NPC239350 | C21H20O11 | 448.1005615 | -3.9729 | 2.56 | -0.021 | 6 | 6 | 175.37 | 4 | 4 | 32 | 1 | |
| NPC261195 | C9H9N | 3-Methyl-1H-Indole | 131.07 | 0.2216 | 2.34 | 2.562 | 1 | 1 | 15.79 | 1 | 2 | 10 | 0 |
| NPC263955 | C29H26O10 | Methyl 1-Formyloxy-4'-Demethoxy-3',4'-Methylenedioxyrocaglate | 534.15 | -2.0653 | 3.55 | 4.525 | 5 | 1 | 118.98 | 12 | 6 | 39 | 0 |
| NPC265319 | C2H7N | ethanamine | 45.05784922 | -0.3972 | 1.57 | -0.143 | 1 | 1 | 26.02 | 0 | 0 | 3 | 0 |
| NPC273340 | C31H42N4O4 | (2S)-2-(dimethylamino)-N-[(2Z,6S,9S,10S)-6-(2-methylpropyl)-5,8-dioxo-10-propan-2-yl-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),2,12,15-tetraen-9-yl]-3-phenylpropanamide | 534.3206058 | 0.1527 | 3.99 | 7.125 | 7 | 3 | 110.24 | 8 | 2 | 39 | 1 |
| NPC281034 | C29H28O10 | methyl (1R,2R,3S,3aR,8bS)-1-formyloxy-8b-hydroxy-3a-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxy-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylate | 536.1682471 | -2.2747 | 3.55 | 4.079 | 5 | 2 | 129.98 | 9 | 5 | 39 | 0 |
| NPC295219 | C17H24N2O3 | 304.1786926 | -0.9572 | 2.78 | 4.16 | 5 | 3 | 85.41 | 9 | 1 | 22 | 0 | |
| NPC40818 | C20H20O7 | Tangeretin | 372.12 | -0.7626 | 2.89 | 2.236 | 1 | 0 | 72.45 | 11 | 3 | 27 | 0 |
| NPC62392 | C18H26N2O3 | 318.1943427 | -1.2452 | 2.89 | 4.518 | 5 | 3 | 85.41 | 10 | 1 | 23 | 0 | |
| NPC69127 | C28H28O9 | methyl (1R,2R,3S,3aR,8bS)-1,8b-dihydroxy-3a-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxy-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylate | 508.1733325 | -2.575 | 3.55 | 4.433 | 4 | 3 | 123.91 | 7 | 5 | 37 | 0 |
| NPC73422 | C28H28O8 | Aglafolin | 492.18 | -2.1147 | 3.66 | 5.396 | 4 | 2 | 103.68 | 13 | 5 | 36 | 1 |
| NPC82295 | C8H7N | Indole | 117.06 | -0.4204 | 2.23 | 2.45 | 1 | 1 | 15.79 | 0 | 2 | 9 | 0 |
| NPC8587 | C17H30O | (9Z)-cycloheptadec-9-en-1-one | 250.2296656 | -2.0952 | 3.22 | 6.663 | 1 | 0 | 17.07 | 0 | 1 | 18 | 1 |
| NPC90336 | C29H28O9 | 1-O-Formylaglafoline | 520.17 | -1.8144 | 3.66 | 5.042 | 5 | 1 | 109.75 | 14 | 5 | 38 | 1 |
| NPC94355 | C18H24N2O3 | (E)-4-hydroxy-2-methyl-N-[4-[[(E)-3-phenylprop-2-enoyl]amino]butyl]but-2-enamide | 316.1786926 | -0.3378 | 2.89 | 4.495 | 5 | 3 | 85.41 | 9 | 1 | 23 | 0 |
Download Data
All data can be downloaded by:→ Selecting data type in the below download table
→ Then click the download button.
