| Phytochemical Name : Negletein |
| PCNDIDN0030 |
| Pubchem CID : 471719 |
| Molecular formula: C16H12O5 |
| Canonical SMILES : COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=CC=C3)O)O |
Synonymes : Negletein|29550-13-8|5,6-Dihydroxy-7-methoxyflavone|Baicalein-7-methylether|5,6-Dihydroxy-7-methoxy-2-phenyl-4H-chromen-4-one|7-O-Methylbaicalein|4H-1-Benzopyran-4-one, 5,6-dihydroxy-7-methoxy-2-phenyl-|5,6-dihydroxy-7-methoxy-2-phenylchromen-4-one|CHEMBL296800|ST055981|5,6-Dihydroxy-7-methoxy-2-phenyl-chromen-4-one|SCHEMBL718970|5,6-dihydroxy-7-methoxy-2-phenyl-1-benzopyran-4-one|DTXSID50183736|CHEBI:190121|BCP33551|HY-N4285|BDBM50212750|LMPK12111097|MFCD00017458|AKOS024282370|MS-24037|CS-0032637|FT-0619824|E80605|A819959|5,6-Dihydroxy-7-methoxyflavone;7-O-Methylbaicalein|7-methoxy-5,6-bis(oxidanyl)-2-phenyl-chromen-4-one|NCGC00385058-01!5,6-dihydroxy-7-methoxy-2-phenylchromen-4-one |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.530 |
| Log Po/w (XLOGP3) : 3.490 |
| Log Po/w (WLOGP) : 2.880 |
| Log Po/w (MLOGP) : 0.770 |
| Log Po/w (SILICOS-IT) : 3.030 |
| Consensus Log Po/w : 2.540 |