| Phytochemical Name : Glycyrin |
| PCNDIDG0117 |
| Pubchem CID : 480787 |
| Molecular formula: C22H22O6 |
| Canonical SMILES : CC(=CCC1=C(C=C2C(=C1OC)C=C(C(=O)O2)C3=C(C=C(C=C3)O)O)OC)C |
Synonymes : Glycyrin|66056-18-6|UNII-994BQ9M3AV|3-(2,4-Dihydroxyphenyl)-5,7-dimethoxy-6-prenylcoumarin|994BQ9M3AV|CHEBI:69086|3-(2,4-dihydroxyphenyl)-5,7-dimethoxy-6-(3-methylbut-2-enyl)chromen-2-one|3-(2,4-Dihydroxy-phenyl)-5,7-dimethoxy-6-(3-methyl-but-2-enyl)-1-benzopyran-2-one|3-(2,4-dihydroxyphenyl)-5,7-dimethoxy-6-(3-methylbut-2-en-1-yl)-2h-chromen-2-one|3-(2',4'-dihydroxyphenyl)-5,7-dimethoxy-2-isopentenylcoumarin|3-(2,4-dihydroxyphenyl)-5,7-dimethoxy-6-(3-methyl-but-2-enyl)-1-benzopyran-2-one|2H-1-BENZOPYRAN-2-ONE, 3-(2,4-DIHYDROXYPHENYL)-5,7-DIMETHOXY-6-(3-METHYL-2-BUTEN-1-YL)-|CHEMBL132535|SCHEMBL5327472|DTXSID50216255|LMPK12160017|AKOS032949083|Q27137426|3-(2,4-Dihydroxyphenyl)-5,7-dimethoxy-6-(3-methyl-2-butenyl)-2H-1-benzopyran-2-one, 9CI |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.310 |
| Log Po/w (XLOGP3) : 4.700 |
| Log Po/w (WLOGP) : 4.400 |
| Log Po/w (MLOGP) : 2.340 |
| Log Po/w (SILICOS-IT) : 4.830 |
| Consensus Log Po/w : 3.920 |