Gancaonin L
PubChem CID: 14604077
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| Compound Synonyms | Gancaonin L, 129145-50-2, 3-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3-methylbut-2-enyl)chromen-4-one, 5,7,3',4'-Tetrahydroxy-8-prenylisoflavone, 4H-1-Benzopyran-4-one, 3-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3-methyl-2-buten-1-yl)-, GancaoninL, 5XEX66S4H2, CHEMBL590636, SCHEMBL1171458, CHEBI:175550, DTXSID301318215, HY-N11773, LMPK12050242, DA-53485, CS-0834526, 3-(3,4-Bis(oxidanyl)phenyl)-8-(3-methylbut-2-enyl)-5,7-bis(oxidanyl)chromen-4-one, 3-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-8-(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one, 3-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one, 9CI |
|---|---|
| Topological Polar Surface Area | 107.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 26.0 |
| Description | Isolated from the aerial parts of Glycyrrhiza uralensis (Chinese licorice). Gancaonin L is found in herbs and spices. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 593.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3-methylbut-2-enyl)chromen-4-one |
| Prediction Hob | 1.0 |
| Class | Isoflavonoids |
| Xlogp | 4.2 |
| Superclass | Phenylpropanoids and polyketides |
| Subclass | Isoflav-2-enes |
| Molecular Formula | C20H18O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WSOHPJFMARQRFD-UHFFFAOYSA-N |
| Fcsp3 | 0.15 |
| Logs | -3.146 |
| Rotatable Bond Count | 3.0 |
| State | Solid |
| Logd | 2.767 |
| Synonyms | 3-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one, 9CI, 5,7,3',4'-Tetrahydroxy-8-prenylisoflavone, Gancaonin L, 3-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one, 9ci |
| Compound Name | Gancaonin L |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 354.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 354.11 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 354.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Esol | -4.467904215384616 |
| Inchi | InChI=1S/C20H18O6/c1-10(2)3-5-12-15(22)8-17(24)18-19(25)13(9-26-20(12)18)11-4-6-14(21)16(23)7-11/h3-4,6-9,21-24H,5H2,1-2H3 |
| Smiles | CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C(=CO2)C3=CC(=C(C=C3)O)O)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Isoflavones |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Glabra (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Inflata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Uralensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Mitracarpus Scaber (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all