| Phytochemical Name : Auraptenol |
| PCNDIDA0237 |
| Pubchem CID : 13343540 |
| Molecular formula: C15H16O4 |
| Canonical SMILES : CC(=C)C(CC1=C(C=CC2=C1OC(=O)C=C2)OC)O |
Synonymes : Auraptenol|(S)-Auraptenol|51559-35-4|8-(2-hydroxy-3-methylbut-3-enyl)-7-methoxychromen-2-one|8-(2-hydroxy-3-methylbut-3-en-1-yl)-7-methoxy-2H-chromen-2-one|(+)-Auraptenol|2H-1-Benzopyran-2-one, 8-(2-hydroxy-3-methyl-3-buten-1-yl)-7-methoxy-|DTXSID00537563|CHEBI:174413|8-[(2S)-2-Hydroxy-3-methyl-3-buten-1-yl]-7-methoxy-2H-1-benzopyran-2-one; (+)-Auraptenol;2H-1-Benzopyran-2-one, 8-(2-hydroxy-3-methyl-3-butenyl)-7-methoxy-, (S)-; 2H-1-Benzopyran-2-one, 8-[(2S)-2-hydroxy-3-methyl-3-butenyl]-7-methoxy-|7-Methoxy-8-(2-hydroxy-3-methylbut-3-enyl)-coumarine|8-(2-Hydroxy-3-methylbut-3-enyl)-7-methoxy-2H-chromen-2-one|8-(2-Hydroxy-3-methyl-3-butenyl)-7-methoxy-2H-1-benzopyran-2-one|8-(2-Hydroxy-3-methylbut-3-en-1-yl)-7-methoxy-2H-1-benzopyran-2-one|NCGC00385210-01!8-(2-hydroxy-3-methylbut-3-enyl)-7-methoxychromen-2-one |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.470 |
| Log Po/w (XLOGP3) : 2.760 |
| Log Po/w (WLOGP) : 2.280 |
| Log Po/w (MLOGP) : 1.780 |
| Log Po/w (SILICOS-IT) : 3.420 |
| Consensus Log Po/w : 2.540 |