| Phytochemical Name : Brazilein |
| PCNDIDB0133 |
| Pubchem CID : 6453902 |
| Molecular formula: C16H12O5 |
| Canonical SMILES : C1C2=CC(=C(C=C2C3=C4C=CC(=O)C=C4OCC31O)O)O |
Synonymes : Brazilein|600-76-0|6a,9,10-trihydroxy-6,7-dihydroindeno[2,1-c]chromen-3-one|Benz(b)indeno(1,2-d)pyran-9(6H)-one, 6a,7-dihydro-3,6a,10-trihydroxy-|Benz[b]indeno[1,2-d]pyran-9(6H)-one, 6a,7-dihydro-3,6a,10-trihydroxy-|CHEMBL598750|SCHEMBL12162547|SCHEMBL12162549|DTXSID40975425|6a,9,10-Trihydroxy-6a,7-dihydrobenzo[b]indeno[1,2-d]pyran-3(6H)-one |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.500 |
| Log Po/w (XLOGP3) : 0.080 |
| Log Po/w (WLOGP) : 1.190 |
| Log Po/w (MLOGP) : 0.420 |
| Log Po/w (SILICOS-IT) : 1.680 |
| Consensus Log Po/w : 0.970 |