| Phytochemical Name : Acuminatin |
| PCNDIDA0027 |
| Pubchem CID : 6441048 |
| Molecular formula: C21H24O4 |
| Canonical SMILES : CC=CC1=CC2=C(C(=C1)OC)OC(C2C)C3=CC(=C(C=C3)OC)OC |
Synonymes : Acuminatin|41744-39-2|(+)-Acuminatin|UNII-JA2WFP75V2|JA2WFP75V2|CHEMBL571195|(2R,3R)-2-(3,4-dimethoxyphenyl)-7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran|SCHEMBL11282793|CHEBI:132649|DTXSID201317357|BDBM50303154|AKOS032948844|Q27281398|(2R,3R)-2-(3,4-DIMETHOXYPHENYL)-2,3-DIHYDRO-7-METHOXY-3-METHYL-5-(1E)-1-PROPEN-1-YLBENZOFURAN|(2R,3R)-2-(3,4-dimethoxyphenyl)-7-methoxy-3-methyl-5-[(1E)-prop-1-en-1-yl]-2,3-dihydro-1-benzofuran|BENZOFURAN, 2-(3,4-DIMETHOXYPHENYL)-2,3-DIHYDRO-7-METHOXY-3-METHYL-5-(1-PROPENYL)-, (2R-(2.ALPHA.,3.BETA.,5(E)))-|Benzofuran, 2-(3,4-dimethoxyphenyl)-2,3-dihydro-7-methoxy-3-methyl-5-(1-propenyl)-, (2R-(2alpha,3beta,5(E)))-|BENZOFURAN, 2-(3,4-DIMETHOXYPHENYL)-2,3-DIHYDRO-7-METHOXY-3-METHYL-5-(1E)-1-PROPEN-1-YL-, (2R,3R)- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 4.050 |
| Log Po/w (XLOGP3) : 4.710 |
| Log Po/w (WLOGP) : 4.550 |
| Log Po/w (MLOGP) : 2.950 |
| Log Po/w (SILICOS-IT) : 4.910 |
| Consensus Log Po/w : 4.230 |