18 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.
5 Ingredients with Available Activity
Unique ingredients have activity data available.
Ingredient Structrual Cards
Ingredient ID: NPC84113
Formula: C30H46O3
Ingredient ID: NPC84113
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@]13[C@H]2CC(C)(C)[C@H](C1)OC3=O)C)C |
| Standard InCHI | InChI=1S/C30H46O3/c1-25(2)16-19-18-8-9-21-27(5)12-11-22(31)26(3,4)20(27)10-13-29(21,7)28(18,6)14-15-30(19)17-23(25)33-24(30)32/h8,19-23,31H,9-17H2,1-7H3/t19-,20-,21+,22-,23-,27-,28+,29+,30+/m0/s1 |
| Standard InCHIKey | PWZMNBAVCHYMBK-FMMUPTMQSA-N |
| Ingredient External Links |
PubChem CID: 21594250 |
| Plant-Ingredient Association Reference |
Database: TCMID [31469] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Albizia julibrissin | Albizia | Fabaceae |
  |
| Glycyrrhiza yunnanensis | Glycyrrhiza | Fabaceae |
|
| Glycyrrhiza pallidiflora | Glycyrrhiza | Fabaceae |
|
| Luffa aegyptiaca | Luffa | Cucurbitaceae |
|
Ingredient ID: NPC64885
Formula: C16H10O6
Ingredient ID: NPC64885
| Common Name | n.a. |
| IUPAC Name | 7-hydroxy-3-(4-hydroxy-1,3-benzodioxol-5-yl)chromen-4-one |
| Canonical SMILES | Oc1ccc2c(c1)occ(c2=O)c1ccc2c(c1O)OCO2 |
| Standard InCHI | InChI=1S/C16H10O6/c17-8-1-2-10-13(5-8)20-6-11(14(10)18)9-3-4-12-16(15(9)19)22-7-21-12/h1-6,17,19H,7H2 |
| Standard InCHIKey | GRMSSCUVELGNHC-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 5317777 ZINC ID: ZINC000013546348 |
| Plant-Ingredient Association Reference |
Database: TCMID [8861] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Mitracarpus scaber | Mitracarpus | Rubiaceae | |
| Glycyrrhiza yunnanensis | Glycyrrhiza | Fabaceae |
|
| Glycyrrhiza | Glycyrrhiza | Fabaceae |
|
| Glycyrrhiza inflata | Glycyrrhiza | Fabaceae |
|
| Glycyrrhiza glabra | Glycyrrhiza | Fabaceae |
 |
| Glycyrrhiza uralensis | Glycyrrhiza | Fabaceae |
|
Ingredient ID: NPC64249
Formula: C30H44O5
Ingredient ID: NPC64249
| Common Name | n.a. |
| IUPAC Name | 10-hydroxy-9-(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-5-oxo-3,4,6,6a,7,8,8a,10,11,12-decahydro-1H-picene-2-carboxylic acid |
| Canonical SMILES | OCC1(C)C(O)CCC2(C1CCC1(C2C=CC2=C3C(C(=O)CC12C)(C)CCC(C3)(C)C(=O)O)C)C |
| Standard InCHI | InChI=1S/C30H44O5/c1-25(24(34)35)13-14-26(2)19(15-25)18-7-8-21-27(3)11-10-22(32)28(4,17-31)20(27)9-12-29(21,5)30(18,6)16-23(26)33/h7-8,20-22,31-32H,9-17H2,1-6H3,(H,34,35) |
| Standard InCHIKey | KYOWPDRQMXVMGQ-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 5317776 |
| Plant-Ingredient Association Reference |
Database: TCMID [8860] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Glycyrrhiza yunnanensis | Glycyrrhiza | Fabaceae |
|
Ingredient ID: NPC63138
Formula: C30H48O5
Ingredient ID: NPC63138
| Common Name | n.a. |
| IUPAC Name | 3,10-dihydroxy-9-(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylic acid |
| Canonical SMILES | OCC1(C)C(O)CCC2(C1CCC1(C2CC=C2C1(C)CCC1(C2CC(C(C1)O)(C)C(=O)O)C)C)C |
| Standard InCHI | InChI=1S/C30H48O5/c1-25-13-14-29(5)18(19(25)15-27(3,24(34)35)23(33)16-25)7-8-21-26(2)11-10-22(32)28(4,17-31)20(26)9-12-30(21,29)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35) |
| Standard InCHIKey | ZXWLSOQCDSAYHO-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 5317774 |
| Plant-Ingredient Association Reference |
Database: TCMID [8858] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Glycyrrhiza yunnanensis | Glycyrrhiza | Fabaceae |
|
Ingredient ID: NPC48246
Formula: C30H46O5
Ingredient ID: NPC48246
| Common Name | n.a. |
| IUPAC Name | 10-hydroxy-9-(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-5-oxo-3,4,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-1H-picene-2-carboxylic acid |
| Canonical SMILES | OCC1(C)C(O)CCC2(C1CCC1(C2CC=C2C1(C)CC(=O)C1(C2CC(CC1)(C)C(=O)O)C)C)C |
| Standard InCHI | InChI=1S/C30H46O5/c1-25(24(34)35)13-14-26(2)19(15-25)18-7-8-21-27(3)11-10-22(32)28(4,17-31)20(27)9-12-29(21,5)30(18,6)16-23(26)33/h7,19-22,31-32H,8-17H2,1-6H3,(H,34,35) |
| Standard InCHIKey | JLSMRQKPAPRPMB-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 5317771 |
| Plant-Ingredient Association Reference |
Database: TCMID [8856] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Glycyrrhiza yunnanensis | Glycyrrhiza | Fabaceae |
|
Ingredient ID: NPC311428
Formula: C30H50O2
Ingredient ID: NPC311428
| Common Name | n.a. |
| IUPAC Name | 4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,10-diol |
| Canonical SMILES | OC1CC2(C)CCC3(C(=CCC4C3(C)CCC3C4(C)CCC(C3(C)C)O)C2CC1(C)C)C |
| Standard InCHI | InChI=1S/C30H50O2/c1-25(2)17-20-19-9-10-22-28(6)13-12-23(31)26(3,4)21(28)11-14-30(22,8)29(19,7)16-15-27(20,5)18-24(25)32/h9,20-24,31-32H,10-18H2,1-8H3 |
| Standard InCHIKey | WHHOPDNTBNVTMJ-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 5317775 |
| Plant-Ingredient Association Reference |
Database: TCMID [8859] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Glycyrrhiza yunnanensis | Glycyrrhiza | Fabaceae |
|
Ingredient ID: NPC269652
Formula: C16H12O5
Ingredient ID: NPC269652
| Common Name | n.a. |
| IUPAC Name | 3-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one |
| Canonical SMILES | COc1ccc2c(c1)oc(c(c2=O)O)c1ccc(cc1)O |
| Standard InCHI | InChI=1S/C16H12O5/c1-20-11-6-7-12-13(8-11)21-16(15(19)14(12)18)9-2-4-10(17)5-3-9/h2-8,17,19H,1H3 |
| Standard InCHIKey | UAESYLAPUNIHOF-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 5319452 ZINC ID: ZINC000014807441 |
| Plant-Ingredient Association Reference |
Database: NPASS [NPC269652] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Glycyrrhiza yunnanensis | Glycyrrhiza | Fabaceae |
|
Ingredient ID: NPC259767
Formula: C21H22O9
Ingredient ID: NPC259767
| Common Name | Isoliquiritin |
| IUPAC Name | (E)-1-(2,4-dihydroxyphenyl)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2ccc(cc2)/C=C/C(=O)c2ccc(cc2O)O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C21H22O9/c22-10-17-18(26)19(27)20(28)21(30-17)29-13-5-1-11(2-6-13)3-8-15(24)14-7-4-12(23)9-16(14)25/h1-9,17-23,25-28H,10H2/b8-3+/t17-,18-,19+,20-,21-/m1/s1 |
| Standard InCHIKey | YNWXJFQOCHMPCK-LXGDFETPSA-N |
| Ingredient External Links |
PubChem CID: 5318591 ZINC ID: ZINC000033832004 ChEMBL ID: CHEMBL599763 |
| Plant-Ingredient Association Reference |
Database: NPASS [NPC259767] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Mitracarpus scaber | Mitracarpus | Rubiaceae | |
| Glycyrrhiza yunnanensis | Glycyrrhiza | Fabaceae |
|
| Onobrychis viciifolia | Onobrychis | Fabaceae |
|
| Glycyrrhiza inflata | Glycyrrhiza | Fabaceae |
|
| Glycyrrhiza aspera | Glycyrrhiza | Fabaceae |
|
| Sophora tomentosa | Sophora | Fabaceae |
|
| Glycyrrhiza kansuensis | Glycyrrhiza | Fabaceae |
|
| Sigesbeckia pubescens | Sigesbeckia | Asteraceae | |
| Aralia subcapitata | Aralia | Araliaceae | |
| Sigesbeckia glabrescens | Sigesbeckia | Asteraceae |
|
| Glycyrrhiza glabra | Glycyrrhiza | Fabaceae |
|
| Robinia pseudoacacia | Robinia | Fabaceae |
|
| Portulaca oleracea | Portulaca | Portulacaceae |
|
| Glycyrrhiza uralensis | Glycyrrhiza | Fabaceae |
|
| Cicer arietinum | Cicer | Fabaceae |
|
Ingredient ID: NPC250266
Formula: C16H12O4
Ingredient ID: NPC250266
| Common Name | 2-(4-Hydroxyphenyl)-7-Methoxychromen-4-One |
| IUPAC Name | 2-(4-hydroxyphenyl)-7-methoxychromen-4-one |
| Canonical SMILES | COc1ccc2c(c1)oc(cc2=O)c1ccc(cc1)O |
| Standard InCHI | InChI=1S/C16H12O4/c1-19-12-6-7-13-14(18)9-15(20-16(13)8-12)10-2-4-11(17)5-3-10/h2-9,17H,1H3 |
| Standard InCHIKey | DZUKXCCSULKRJA-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 676307 ZINC ID: ZINC000000039313 ChEMBL ID: CHEMBL1600520 |
| Plant-Ingredient Association Reference |
Database: NPASS [NPC250266] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Glycyrrhiza yunnanensis | Glycyrrhiza | Fabaceae |
|
Ingredient ID: NPC19174
Formula: C15H12O4
Ingredient ID: NPC19174
| Common Name | Isoliquiritigenin |
| IUPAC Name | (E)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one |
| Canonical SMILES | Oc1ccc(cc1)/C=C/C(=O)c1ccc(cc1O)O |
| Standard InCHI | InChI=1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H/b8-3+ |
| Standard InCHIKey | DXDRHHKMWQZJHT-FPYGCLRLSA-N |
| Ingredient External Links |
PubChem CID: 638278 ZINC ID: ZINC000003869608 ChEMBL ID: CHEMBL129795 |
| Plant-Ingredient Association Reference |
Database: NPASS [NPC19174] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Mitracarpus scaber | Mitracarpus | Rubiaceae | |
| Abies pinsapo var. marocana | Abies | Pinaceae | |
| Teucrium betonicum | Teucrium | Lamiaceae | |
| Centaurea solstitialis | Centaurea | Asteraceae |
|
| Xanthorrhoea resinosa | Xanthorrhoea | Asphodelaceae |
|
| Ocimum pilosum | Ocimum | Lamiaceae |
|
| Psorothamnus arborescens | Psorothamnus | Fabaceae | |
| Rhododendron ungerni | Rhododendron | Ericaceae | |
| Albizia julibrissin | Albizia | Fabaceae |
|
| Lagochilus leiacanthus | Lagochilus | Lamiaceae | |
| Glycyrrhiza yunnanensis | Glycyrrhiza | Fabaceae |
|
| Strychnos tricalysioides | Strychnos | Loganiaceae | |
| Piptostigma fugax | Piptostigma | Annonaceae | |
| Chara ceratophylla | Chara | Characeae | |
| Euphrasia genargentea | Euphrasia | Orobanchaceae | |
| Cosmos diversifolius | Cosmos | Asteraceae | |
| Trichodesma incanum | Trichodesma | Boraginaceae | |
| Dalbergia parviflora | Dalbergia | Fabaceae |
|
| Rhododendron mucronatum | Rhododendron | Ericaceae |
|
| Onobrychis viciifolia | Onobrychis | Fabaceae |
|
| Xanthorhiza simplicissima | Xanthorhiza | Ranunculaceae |
|
| Astragalus mongholicus | Astragalus | Fabaceae |
|
| Glycyrrhiza | Glycyrrhiza | Fabaceae |
|
| Inga velutina | Inga | Fabaceae |
|
| Curcuma caesia | Curcuma | Zingiberaceae |
|
| Glycyrrhiza inflata | Glycyrrhiza | Fabaceae |
|
| Crinum bulbispermum | Crinum | Amaryllidaceae |
|
| Dalbergia odorifera | Dalbergia | Fabaceae |
|
| Cathormion altissimum | Cathormion | Fabaceae | |
| Urochloa decumbens | Urochloa | Poaceae | |
| Dactylorhiza viridis | Dactylorhiza | Orchidaceae | |
| Pterolobium hexapetalum | Pterolobium | Fabaceae |
|
| Polygonatum cyrtonema | Polygonatum | Asparagaceae |
|
| Sophora tomentosa | Sophora | Fabaceae |
|
| Dalbergia louvelii | Dalbergia | Fabaceae | |
| Diplopterygium glaucum | Diplopterygium | Gleicheniaceae | |
| Platymiscium floribundum | Platymiscium | Fabaceae | |
| Erythrophleum couminga | Erythrophleum | Fabaceae |
|
| Astragalus membranaceus | Astragalus | Fabaceae |
|
| Spatholobus suberectus | Spatholobus | Fabaceae |
|
| Maytenus chuchuhuasha | Maytenus | Celastraceae | |
| Anemarrhena asphodeloides | Anemarrhena | Asparagaceae |
|
| Oxytropis falcata | Oxytropis | Fabaceae | |
| Polygonatum kingianum | Polygonatum | Asparagaceae |
|
| Angelica acutiloba | Angelica | Apiaceae |
|
| Glycyrrhiza glabra | Glycyrrhiza | Fabaceae |
|
| Erythrina pallida | Erythrina | Fabaceae | |
| Solanum lanceolatum | Solanum | Solanaceae |
|
| Bryonia alba | Bryonia | Cucurbitaceae |
|
| Sophora mollis | Sophora | Fabaceae |
|
| Dracaena draco | Dracaena | Asparagaceae |
|
| Robinia pseudoacacia | Robinia | Fabaceae |
|
| Viburnum erubescens | Viburnum | Adoxaceae |
|
| Remirea maritima | Remirea | Cyperaceae | |
| Arnica mollis | Arnica | Asteraceae | |
| Dipteryx odorata | Dipteryx | Fabaceae |
|
| Eucalyptus australiana | Eucalyptus | Myrtaceae | |
| Croton gratissimus | Croton | Euphorbiaceae |
|
| Wikstroemia viridiflora | Wikstroemia | Thymelaeaceae |
|
| Polygonatum falcatum | Polygonatum | Asparagaceae |
|
| Brassica carinata | Brassica | Brassicaceae |
|
| Turpinia arguta | Turpinia | Staphyleaceae | |
| Hedysarum polybotrys | Hedysarum | Fabaceae |
|
| Ranunculus asiaticus | Ranunculus | Ranunculaceae | |
| Eurycoma harmandiana | Eurycoma | Simaroubaceae |
|
| Glycyrrhiza uralensis | Glycyrrhiza | Fabaceae |
|
| Eucalyptus resinifera | Eucalyptus | Myrtaceae |
|
| Allium azureum ledeb | Allium | Amaryllidaceae | |
| Phelline lucida | Phelline | Phellinaceae | |
| Glycine max | Glycine | Fabaceae |
|
| Lactuca serriola | Lactuca | Asteraceae |
|
| Sinapis alba | Sinapis | Brassicaceae |
|
| Cicer arietinum | Cicer | Fabaceae |
|
| Artocarpus altilis | Artocarpus | Moraceae |
|
| Carpha glomerata | Carpha | Cyperaceae | |
| Cryptocarya oblata | Cryptocarya | Lauraceae | |
| Cyanostegia angustifolia | Cyanostegia | Lamiaceae | |
| Orthosiphon spicatus | Orthosiphon | Lamiaceae |
|
| Solenopsis punctaticeps | Solenopsis | Campanulaceae | |
| Lysimachia fordiana | Lysimachia | Primulaceae | |
| Ampelocera edentula | Ampelocera | Ulmaceae | |
| Ixeris debilis | Ixeris | Asteraceae | |
| Polygonatum sibiricum | Polygonatum | Asparagaceae |
|
| Abies excelsa | Abies | Pinaceae |
Ingredient ID: NPC184398
Formula: C21H28N2O6
Ingredient ID: NPC184398
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | CON1c2cc(OC)ccc2[C@@]2(C1=O)C[C@@H]1N[C@]([C@@H]3C[C@H]2OC[C@H]13)(CO)[C@H](O)C |
| Standard InCHI | InChI=1S/C21H28N2O6/c1-11(25)21(10-24)15-7-18-20(8-16(22-21)13(15)9-29-18)14-5-4-12(27-2)6-17(14)23(28-3)19(20)26/h4-6,11,13,15-16,18,22,24-25H,7-10H2,1-3H3/t11-,13+,15-,16+,18-,20+,21-/m1/s1 |
| Standard InCHIKey | GWYGPYIOBSALOZ-DMLIBQJSSA-N |
| Ingredient External Links |
PubChem CID: 11090753 |
| Plant-Ingredient Association Reference |
Database: TCMID [13954] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Glycyrrhiza yunnanensis | Glycyrrhiza | Fabaceae |
|
| Gelsemium elegans | Gelsemium | Gelsemiaceae |
|
Ingredient ID: NPC172262
Formula: C15H10O4
Ingredient ID: NPC172262
| Common Name | 7-Hydroxy-2-(4-Hydroxyphenyl)Chromen-4-One |
| IUPAC Name | 7-hydroxy-2-(4-hydroxyphenyl)chromen-4-one |
| Canonical SMILES | Oc1ccc(cc1)c1cc(=O)c2c(o1)cc(cc2)O |
| Standard InCHI | InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-8,16-17H |
| Standard InCHIKey | LCAWNFIFMLXZPQ-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 5282073 ZINC ID: ZINC000000057658 ChEMBL ID: CHEMBL294878 |
| Plant-Ingredient Association Reference |
Database: NPASS [NPC172262] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Mitracarpus scaber | Mitracarpus | Rubiaceae | |
| Crotalaria assamica | Crotalaria | Fabaceae |
|
| Callicarpa japonica | Callicarpa | Lamiaceae |
|
| Avrainvillea longicaulis | Avrainvillea | Udoteaceae | |
| Glycyrrhiza yunnanensis | Glycyrrhiza | Fabaceae |
|
| Helichrysum cephaloideum | Helichrysum | Asteraceae |
|
| Hemionitis japonica | Hemionitis | Pteridaceae | |
| Sedum obtuso-lineare | Sedum | Crassulaceae | |
| Trollius chinensis | Trollius | Ranunculaceae |
|
| Hypericum balearicum | Hypericum | Hypericaceae | |
| Glycyrrhiza | Glycyrrhiza | Fabaceae |
|
| Bryum argenteum | Bryum | Bryaceae |
|
| Euphorbia amygdaloides | Euphorbia | Euphorbiaceae |
|
| Entada phaseoloides | Entada | Fabaceae |
|
| Glycyrrhiza inflata | Glycyrrhiza | Fabaceae |
|
| Hesperis matronalis | Hesperis | Brassicaceae |
|
| Jatropha macrorhiza | Jatropha | Euphorbiaceae | |
| Jackiella javanica | Jackiella | Jackiellaceae |
|
| Rhus vulgaris | Rhus | Anacardiaceae |
|
| Cladrastis platycarpa | Cladrastis | Fabaceae | |
| Eremanthus seidelii | Eremanthus | Asteraceae | |
| Pangium edule | Pangium | Achariaceae |
|
| Senecio adenophyllus | Senecio | Asteraceae | |
| Lilium umbellatum | Lilium | Liliaceae | |
| Artemisia rehan | Artemisia | Asteraceae | |
| Elephantopus hirtiflorus | Elephantopus | Asteraceae | |
| Nematolepis phebalioides | Nematolepis | Rutaceae | |
| Solidago flexicaulis | Solidago | Asteraceae |
|
| Ligularia cymbulifera | Ligularia | Asteraceae | |
| Coprosma areolata | Coprosma | Rubiaceae |
|
| Oreopteris quelpaertensis | Oreopteris | Thelypteridaceae | |
| Viguiera linearis | Viguiera | Asteraceae | |
| Magnolia montana | Michelia | Magnoliaceae |
|
| Sterculia foetida | Sterculia | Malvaceae |
|
| Gmelina asiatica | Gmelina | Lamiaceae |
|
| Sophora viciifolia | Sophora | Fabaceae |
|
| Vigna mungo | Vigna | Fabaceae |
|
| Phyllanthus emblica | Phyllanthus | Phyllanthaceae |
|
| Glycyrrhiza glabra | Glycyrrhiza | Fabaceae |
|
| Aglaia formosana | Aglaia | Meliaceae | |
| Daemonorops draco | Daemonorops | Arecaceae |
|
| Broussonetia papyrifera | Broussonetia | Moraceae |
|
| Glycyrrhiza uralensis | Glycyrrhiza | Fabaceae |
|
| Crotalaria pallida | Crotalaria | Fabaceae |
|
| Crinum asiaticum | Crinum | Amaryllidaceae |
|
Ingredient ID: NPC155067
Formula: C42H62O17
Ingredient ID: NPC155067
| Common Name | n.a. |
| IUPAC Name | (2S,3S,4S,5R,6R)-6-[[2-carboxy-10-[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-11-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12-dodecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid |
| Canonical SMILES | OC(=O)[C@H]1O[C@@H](OC2C(O)CC3(C(C2(C)C)CCC2(C3C=CC3=C4CC(C)(C(=O)O)C(CC4(CCC23C)C)O[C@@H]2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2O)O)O)C)C)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C42H62O17/c1-37(2)20-10-11-42(7)21(39(20,4)15-19(43)31(37)59-35-28(49)24(45)26(47)30(58-35)33(52)53)9-8-17-18-14-40(5,36(54)55)22(16-38(18,3)12-13-41(17,42)6)56-34-27(48)23(44)25(46)29(57-34)32(50)51/h8-9,19-31,34-35,43-49H,10-16H2,1-7H3,(H,50,51)(H,52,53)(H,54,55)/t19?,20?,21?,22?,23-,24-,25-,26-,27+,28+,29-,30-,31?,34+,35-,38?,39?,40?,41?,42?/m0/s1 |
| Standard InCHIKey | LKBVWZAHWLLJRO-IAPCRSCMSA-N |
| Ingredient External Links |
PubChem CID: 5317770 |
| Plant-Ingredient Association Reference |
Database: TCMID [8855] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Glycyrrhiza yunnanensis | Glycyrrhiza | Fabaceae |
|
| Glycyrrhiza uralensis | Glycyrrhiza | Fabaceae |
|
Ingredient ID: NPC14838
Formula: C27H32O13
Ingredient ID: NPC14838
| Common Name | n.a. |
| 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-phenyl-2,3-dihydrochromen-4-one |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)O[C@@H](CC3=O)c2ccccc2)[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/C27H32O13/c1-11-20(31)22(33)24(35)26(36-11)40-25-23(34)21(32)18(10-28)39-27(25)37-13-7-14(29)19-15(30)9-16(38-17(19)8-13)12-5-3-2-4-6-12/h2-8,11,16,18,20-29,31-35H,9-10H2,1H3/t11-,16-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1 |
| Standard InCHIKey | UVPBNPUZWAOBQX-AFUJZTQMSA-N |
| Ingredient External Links |
PubChem CID: 442454 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD177033] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Glycyrrhiza yunnanensis | Glycyrrhiza | Fabaceae |
|
Ingredient ID: NPC120753
Formula: C31H48O5
Ingredient ID: NPC120753
| Common Name | n.a. |
| IUPAC Name | 3,10-dihydroxy-9-(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-5-methylidene-3,4,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-1H-picene-2-carboxylic acid |
| Canonical SMILES | OCC1(C)C(O)CCC2(C1CCC1(C2CC=C2C1(C)CC(=C)C1(C2CC(C(C1)O)(C)C(=O)O)C)C)C |
| Standard InCHI | InChI=1S/C31H48O5/c1-18-14-31(7)19(20-15-28(4,25(35)36)24(34)16-27(18,20)3)8-9-22-26(2)12-11-23(33)29(5,17-32)21(26)10-13-30(22,31)6/h8,20-24,32-34H,1,9-17H2,2-7H3,(H,35,36) |
| Standard InCHIKey | YQHCFCAPVCHMAL-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 5317772 |
| Plant-Ingredient Association Reference |
Database: TCMID [8857] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Glycyrrhiza yunnanensis | Glycyrrhiza | Fabaceae |
|
Ingredient ID: NPC115159
Formula: C15H12O4
Ingredient ID: NPC115159
| Common Name | (Z)-1-(2,4-Dihydroxyphenyl)-3-(4-Hydroxyphenyl)Prop-2-En-1-One |
| IUPAC Name | (Z)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one |
| Canonical SMILES | Oc1ccc(cc1)/C=CC(=O)c1ccc(cc1O)O |
| Standard InCHI | InChI=1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H/b8-3- |
| Standard InCHIKey | DXDRHHKMWQZJHT-BAQGIRSFSA-N |
| Ingredient External Links |
PubChem CID: 6603886 ZINC ID: ZINC000003869607 ChEMBL ID: CHEMBL1395334 |
| Plant-Ingredient Association Reference |
Database: NPASS [NPC115159] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Glycyrrhiza yunnanensis | Glycyrrhiza | Fabaceae |
|
| Onobrychis viciifolia | Onobrychis | Fabaceae |
|
| Glycyrrhiza inflata | Glycyrrhiza | Fabaceae |
|
| Sophora tomentosa | Sophora | Fabaceae |
|
| Hedysarum multijugum maxim | Hedysarum | Fabaceae | |
| Spatholobus suberectus | Spatholobus | Fabaceae |
|
| Glycyrrhiza glabra | Glycyrrhiza | Fabaceae |
|
| Dracaena draco | Dracaena | Asparagaceae |
|
| Robinia pseudoacacia | Robinia | Fabaceae |
|
| Glycyrrhiza uralensis | Glycyrrhiza | Fabaceae |
|
| Cicer arietinum | Cicer | Fabaceae |
|
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| NPC115159 | C15H12O4 | (Z)-1-(2,4-Dihydroxyphenyl)-3-(4-Hydroxyphenyl)Prop-2-En-1-One | 256.07 | -1.2836 | 2.67 | 2.764 | 1 | 3 | 77.76 | 6 | 2 | 19 | 0 |
| NPC120753 | C31H48O5 | 3,10-dihydroxy-9-(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-5-methylidene-3,4,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-1H-picene-2-carboxylic acid | 500.3501746 | 1.3093 | 4.32 | 6.719 | 5 | 4 | 97.99 | 2 | 5 | 36 | 1 |
| NPC14838 | C27H32O13 | (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-phenyl-2,3-dihydrochromen-4-one | 564.1842911 | -4.3479 | 3 | 0.551 | 10 | 7 | 204.83 | 6 | 5 | 40 | 1 |
| NPC155067 | C42H62O17 | (2S,3S,4S,5R,6R)-6-[[2-carboxy-10-[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-11-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12-dodecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid | 838.3987005 | -1.3503 | 4.21 | 3.594 | 17 | 10 | 290.43 | 7 | 7 | 59 | 2 |
| NPC172262 | C15H10O4 | 7-Hydroxy-2-(4-Hydroxyphenyl)Chromen-4-One | 254.06 | -1.4242 | 2.67 | 2.53 | 1 | 2 | 66.76 | 3 | 3 | 19 | 0 |
| NPC184398 | C21H28N2O6 | 404.1947366 | -3.2591 | 2.89 | -0.273 | 5 | 3 | 100.49 | 4 | 4 | 29 | 0 | |
| NPC19174 | C15H12O4 | Isoliquiritigenin | 256.07 | -1.2836 | 2.67 | 2.764 | 1 | 3 | 77.76 | 6 | 2 | 19 | 0 |
| NPC250266 | C16H12O4 | 2-(4-Hydroxyphenyl)-7-Methoxychromen-4-One | 268.07 | -1.0157 | 2.78 | 3.049 | 1 | 1 | 55.76 | 4 | 3 | 20 | 0 |
| NPC259767 | C21H22O9 | Isoliquiritin | 418.13 | -3.0305 | 2.78 | 1.656 | 6 | 6 | 156.91 | 12 | 3 | 30 | 1 |
| NPC269652 | C16H12O5 | 284.0684735 | -1.4721 | 2.67 | 3.397 | 2 | 2 | 75.99 | 5 | 3 | 21 | 0 | |
| NPC311428 | C30H50O2 | 4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,10-diol | 442.3810808 | 2.4385 | 4.54 | 9.039 | 2 | 2 | 40.46 | 0 | 5 | 32 | 1 |
| NPC48246 | C30H46O5 | 10-hydroxy-9-(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-5-oxo-3,4,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-1H-picene-2-carboxylic acid | 486.3345246 | 0.6853 | 4.21 | 5.235 | 5 | 3 | 94.83 | 2 | 5 | 35 | 1 |
| NPC63138 | C30H48O5 | 3,10-dihydroxy-9-(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylic acid | 488.3501746 | 0.466 | 4.21 | 7.326 | 5 | 4 | 97.99 | 2 | 5 | 35 | 1 |
| NPC64249 | C30H44O5 | 10-hydroxy-9-(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-5-oxo-3,4,6,6a,7,8,8a,10,11,12-decahydro-1H-picene-2-carboxylic acid | 484.3188745 | 1.2904 | 4.21 | 5.189 | 5 | 3 | 94.83 | 2 | 5 | 35 | 1 |
| NPC64885 | C16H10O6 | 7-hydroxy-3-(4-hydroxy-1,3-benzodioxol-5-yl)chromen-4-one | 298.047738 | -1.89 | 2.56 | 1.514 | 1 | 2 | 85.22 | 1 | 4 | 22 | 0 |
| NPC84113 | C30H46O3 | 454.3446953 | 2.1657 | 4.43 | 7.787 | 3 | 1 | 46.53 | 0 | 6 | 33 | 1 |
Download Data
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