| Phytochemical Name : beta-Asarone |
| PCNDIDB0060 |
| Pubchem CID : 5281758 |
| Molecular formula: C12H16O3 |
| Canonical SMILES : CC=CC1=CC(=C(C=C1OC)OC)OC |
Synonymes : beta-Asarone|5273-86-9|cis-Isoelemicin|cis-Isoasarone|(Z)-Asarone|cis-Asarone|IGA3MH6IUW|UNII-IGA3MH6IUW|cis-2,4,5-Trimethoxy-1-propenylbenzene|Cis-Asaron|(Z)-5-Propenyl-1,2,4-trimethoxybenzene|.beta.-Asarone|(Z)-1,2,4-Trimethoxy-5-(1-propenyl)benzene|cis-.beta.-Asarone|CCRIS 1592|CHEBI:10353|BENZENE, 1,2,4-TRIMETHOXY-5-PROPENYL-, (Z)-|EINECS 226-096-6|2,4,5-Trimethoxypropen-1-ylbenzene|1,2,4-trimethoxy-5-[(Z)-prop-1-enyl]benzene|BRN 1910605|Benzene, 1,2,4-trimethoxy-5-(1-propenyl)-, (Z)-|AI3-36897|cis-2,4,5-trimethoxyphenylpropene|DTXSID601020057|3-06-00-06440 (Beilstein Handbook Reference)|1,2,4-trimethoxy-5-propenylbenzene, z-|(Z)-1-(2,4,5-Trimethoxyphenyl)-1-propene|cis-beta-Asarone|BENZENE, 1,2,4-TRIMETHOXY-5-(1Z)-1-PROPEN-1-YL-|asarone, (Z)-isomer|cis-1-Propenyl-2,4,5-trimethoxybenzene|Benzene, 1,2,4-trimethoxy-5-(1Z)-1-propenyl-|1,2,4-trimethoxy-5-((1Z)-prop-1-en-1-yl)benzene|1,2,4-trimethoxy-5-[(1Z)-prop-1-en-1-yl]benzene|beta-asaron|I(2)-Asarone|1,2,4-Trimethoxy-5-((Z)-1-propenyl)benzene|1,2,4-trimethoxy-5-(prop-1-en-1-yl)benzene|(Z)-.beta.-Asarone|beta-ASARONE, CIS-|SCHEMBL528747|.BETA.-ASARONE, CIS-|CHEMBL477752|CHEBI:68146|CHEBI:78308|DTXCID00911420|HMS3886B18|BCP23722|HY-N1501|MFCD00009281|s9118|AKOS030524038|CCG-266642|CS-W009103|DS-9662|AC-34897|cis-2,4,5-Trimethoxy-1-propenylbenzene, 70%|1,2,4-Trimethoxy-5-[(1Z)-1-propenyl]benzene|A870918|W-105801|beta-Asarone, primary pharmaceutical reference standard|Q27089385|1,2,4-Trimethoxy-5-((z)-1-propenyl)benzene, ?-asarone|(z)-1 pound not2 pound not4-trimethoxy-5-(1-propenyl)benzene |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.020 |
| Log Po/w (XLOGP3) : 3.000 |
| Log Po/w (WLOGP) : 2.640 |
| Log Po/w (MLOGP) : 1.970 |
| Log Po/w (SILICOS-IT) : 2.890 |
| Consensus Log Po/w : 2.700 |