| Phytochemical Name : Pterocarpine |
| PCNDIDP0206 |
| Pubchem CID : 1715306 |
| Molecular formula: C17H14O5 |
| Canonical SMILES : COC1=CC2=C(C=C1)C3C(CO2)C4=CC5=C(C=C4O3)OCO5 |
Synonymes : Pterocarpin|Pterocarpine|(-)-Pterocarpin|Pterocarpin [MI]|3-Methoxy maackiain|(-)-cis-Pterocarpin|Pterocarpin, (-)-|524-97-0|UNII-NZ7T2XO0S1|NZ7T2XO0S1|(6aR,12aR)-6a,12a-Dihydro-3-methoxy-6H-(1,3)dioxolo(5,6)benzofuro(3,2-C)(1)benzopyran|6H-(1,3)Dioxolo(5,6)benzofuro(3,2-C)(1)benzopyran, 6a,12a-dihydro-3-methoxy-, (6aR,12aR)-|(1R,12R)-16-methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaene|Pterocarpin methylether|Maackiain, methyl ether|CHEMBL242128|SCHEMBL1248055|YLZYAUCOYZKLMA-SJCJKPOMSA-|AKOS040740380|NCGC00160175-01|XP161623|Q63396296|(6aR-cis)-6a,12a-Dihydro-3-methoxy-6H-[1,3]dioxolo[5,6]benzofuro[3,2-c][1]benzopyran|3-Methoxy-6a,12a-dihydro-6H-[1,3]dioxolo[4',5':5,6][1]benzofuro[3,2-c]chromene #|6H-[1,3]Dioxolo[5,6]benzofuro[3,2-c][1]benzopyran, 6a,12a-dihydro-3-methoxy-, (6aR-cis)-|6H-[1,3]Dioxolo[5,6]benzofuro[3,2-c][1]benzopyran, 6a.alpha.,12a.alpha.-dihydro-3-methoxy- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.180 |
| Log Po/w (XLOGP3) : 2.940 |
| Log Po/w (WLOGP) : 2.710 |
| Log Po/w (MLOGP) : 1.960 |
| Log Po/w (SILICOS-IT) : 3.110 |
| Consensus Log Po/w : 2.780 |