| Phytochemical Name : Protosappanin B |
| PCNDIDP0186 |
| Pubchem CID : 13846689 |
| Molecular formula: C16H16O6 |
| Canonical SMILES : C1C2=CC(=C(C=C2C3=C(C=C(C=C3)O)OCC1(CO)O)O)O |
Synonymes : Protosappanin B|102036-29-3|(-)-Protosappanin B|6H-Dibenz[b,d]oxocin-3,7,10,11-tetrol, 7,8-dihydro-7-(hydroxymethyl)-, (7S,12aS)-|ProtosappaninB|Protosappanin-B|FT-0689654|SCHEMBL164076|(7S)-3,7,10,11-Tetrahydroxy-7,8-dihydro-6H-dibenzo[b,d]oxocin-7-methanol|DTXSID401317139|MFCD20527297|AS-79972|A896916|(7S,12aS)-7,8-Dihydro-7-(hydroxymethyl)-6H-dibenz[b,d]oxocin-3,7,10,11-tetrol|(10S)-10-(hydroxymethyl)-8-oxatricyclo[10.4.0.0^{2,7]hexadeca-1(16),2(7),3,5,12,14-hexaene-5,10,14,15-tetrol|10-(hydroxymethyl)-8-oxatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,12,14-hexaene-5,10,14,15-tetrol |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.580 |
| Log Po/w (XLOGP3) : 1.000 |
| Log Po/w (WLOGP) : 1.130 |
| Log Po/w (MLOGP) : 0.230 |
| Log Po/w (SILICOS-IT) : 1.490 |
| Consensus Log Po/w : 1.080 |