Gancaonin G
PubChem CID: 480780
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| Compound Synonyms | Gancaonin G, 126716-34-5, 5-hydroxy-3-(4-hydroxyphenyl)-7-methoxy-6-(3-methylbut-2-enyl)chromen-4-one, 6FEL0FW4CB, UNII-6FEL0FW4CB, 5-Hydroxy-3-(4-hydroxy-phenyl)-7-methoxy-6-(3-methyl-but-2-enyl)-1-benzopyran-4-one, 5,4'-Dihydroxy-7-methoxy-6-prenylisoflavone, DTXSID70155273, 4H-1-BENZOPYRAN-4-ONE, 5-HYDROXY-3-(4-HYDROXYPHENYL)-7-METHOXY-6-(3-METHYL-2-BUTEN-1-YL)-, GancaoninG, CHEMBL494253, SCHEMBL1171175, DTXCID6077764, CHEBI:175513, BFA71634, HY-N3920, LMPK12050352, AKOS032949067, DA-53484, CS-0024456, 4',5-Dihydroxy-7-methoxy-6-prenylisoflavone |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 26.0 |
| Description | Constituent of Glycyrrhiza uralensis (Chinese licorice). Gancaonin G is found in herbs and spices. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 569.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 5-hydroxy-3-(4-hydroxyphenyl)-7-methoxy-6-(3-methylbut-2-enyl)chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.9 |
| Molecular Formula | C21H20O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WLPHLDLTTPUDSI-UHFFFAOYSA-N |
| Fcsp3 | 0.1904761904761904 |
| Logs | -3.346 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.997 |
| Synonyms | 4',5-Dihydroxy-7-methoxy-6-prenylisoflavone, 5,4'-Dihydroxy-7-methoxy-6-prenylisoflavone, Gancaonin G |
| Compound Name | Gancaonin G |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 352.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 352.131 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 352.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.8180778153846155 |
| Inchi | InChI=1S/C21H20O5/c1-12(2)4-9-15-17(25-3)10-18-19(20(15)23)21(24)16(11-26-18)13-5-7-14(22)8-6-13/h4-8,10-11,22-23H,9H2,1-3H3 |
| Smiles | CC(=CCC1=C(C=C2C(=C1O)C(=O)C(=CO2)C3=CC=C(C=C3)O)OC)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 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