| Phytochemical Name : Isoglycyrol |
| PCNDIDI0074 |
| Pubchem CID : 124050 |
| Molecular formula: C21H18O6 |
| Canonical SMILES : CC1(CCC2=C(O1)C=C3C(=C2OC)C4=C(C5=C(O4)C=C(C=C5)O)C(=O)O3)C |
Synonymes : Isoglycyrol|23013-86-7|9DR3EAN2PI|UNII-9DR3EAN2PI|DTXSID10177570|1H,7H-Benzofuro(3,2-c)pyrano(3,2-g)(1)benzopyran-7-one, 2,3-dihydro-10-hydroxy-13-methoxy-3,3-dimethyl-|C21H18O6|MLS000697736|CHEMBL495063|SCHEMBL5935152|hydroxy-methoxy-dimethyl-[?]one|DTXCID70100061|HMS2269J18|SMR000470985|1-Methoxy-13,13-dimethyl-9-hydroxy-3,2-(epoxypropano)-6H-benzofuro[3,2-c][1]benzopyran-6-one|10-Hydroxy-13-methoxy-3,3-dimethyl-2,3-dihydro-1H-benzofuro[3,2-c]pyrano[3,2-g][1]benzopyran-7-one |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.300 |
| Log Po/w (XLOGP3) : 4.070 |
| Log Po/w (WLOGP) : 4.510 |
| Log Po/w (MLOGP) : 2.360 |
| Log Po/w (SILICOS-IT) : 4.700 |
| Consensus Log Po/w : 3.790 |