| Phytochemical Name : Shinpterocarpin |
| PCNDIDS0101 |
| Pubchem CID : 10336244 |
| Molecular formula: C20H18O4 |
| Canonical SMILES : CC1(C=CC2=C(O1)C=CC3=C2OCC4C3OC5=C4C=CC(=C5)O)C |
Synonymes : Shinpterocarpin|UNII-QNW54SFH39|QNW54SFH39|157414-04-5|2H,6H-Benzofuro(3,2-C)pyrano(2,3-H)(1)benzopyran-9-ol, 6a,11a-dihydro-2,2-dimethyl-, (6aR,7bR)-|CHEMBL591773|Q27287385|2,2-Dimethyl-6aalpha,11aalpha-dihydro-2H,6H-benzofuro[3,2-c]pyrano[2,3-h][1]benzopyran-9-ol |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.090 |
| Log Po/w (XLOGP3) : 3.560 |
| Log Po/w (WLOGP) : 3.750 |
| Log Po/w (MLOGP) : 2.730 |
| Log Po/w (SILICOS-IT) : 3.610 |
| Consensus Log Po/w : 3.350 |