| Phytochemical Name : Isomyristicin |
| PCNDIDI0093 |
| Pubchem CID : 6436484 |
| Molecular formula: C11H12O3 |
| Canonical SMILES : CC=CC1=CC2=C(C(=C1)OC)OCO2 |
Synonymes : Isomyristicin|Trans-isomyristicin|18312-21-5|4-methoxy-6-[(E)-prop-1-enyl]-1,3-benzodioxole|(E)-Isomyristicin|EINECS 242-198-3|(E)-4-Methoxy-6-(propen-1-yl)-1,3-benzodioxole|1,3-Benzodioxole, 4-methoxy-6-(1-propen-1-yl)-|487-62-7|CHEMBL1642213|CHEBI:173923|DTXSID901317803|MFCD00016901|STK693386|AKOS005605020|CS-0328462|4-Methoxy-6-(1-propenyl)-1,3-benzodioxole|4-methoxy-6-[(E)-1-propenyl]-1,3-benzodioxole|4-Methoxy-6-(1-propenyl)-1,3-benzodioxole, 9CI|(E)-4-methoxy-6-(prop-1-enyl)benzo[d][1,3]dioxole|1-Methoxy-2,3-methylenedioxy-5-(1-propenyl)benzene|Q67880222|4-methoxy-6-[(1E)-prop-1-en-1-yl]-1,3-benzodioxole|Z2106609031|(E)-4-methoxy-6-(prop-1-en-1-yl)benzo[d][1,3]dioxole|4-methoxy-6-[(1E)-prop-1-en-1-yl]-2H-1,3-benzodioxole |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.720 |
| Log Po/w (XLOGP3) : 2.710 |
| Log Po/w (WLOGP) : 2.350 |
| Log Po/w (MLOGP) : 1.700 |
| Log Po/w (SILICOS-IT) : 2.820 |
| Consensus Log Po/w : 2.460 |