| PubChem CID | 5281758 |
| Molecular Formula | C12H16O3 |
| Structure |
|
| Synonyms |
beta-Asarone
5273-86-9 cis-Isoelemicin cis-Isoasarone (Z)-Asarone cis-2,4,5-Trimethoxy-1-propenylbenzene cis-Asarone IGA3MH6IUW UNII-IGA3MH6IUW 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-b-Asarone (>70%) Benzene, 1,2,4-trimethoxy-5-(1Z)-1-propenyl- cis-beta-Asarone BENZENE, 1,2,4-TRIMETHOXY-5-(1Z)-1-PROPEN-1-YL- cis-1-Propenyl-2,4,5-trimethoxybenzene 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 beta-Asarone; 1,2,4-Trimethoxy-5-[(Z)-prop-1-enyl]benzene; ss-Asarone I(2)-Asarone asarone, (Z)-isomer 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 (Z)-1,2,4-Trimethoxy-5-(prop-1-en-1-yl)benzene 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 |
| IUPAC Name | 1,2,4-trimethoxy-5-[(Z)-prop-1-enyl]benzene |
| SMILES | C/C=C\C1=CC(=C(C=C1OC)OC)OC |
| Canonical SMILES | CC=CC1=CC(=C(C=C1OC)OC)OC |
| InChI | InChI=1S/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5-8H,1-4H3/b6-5- |
| InChIKey | RKFAZBXYICVSKP-WAYWQWQTSA-N |
| Molecular Weight | 208.25 g/mol |
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 208.11 |
| Monoisotopic Mass | 208.11 |
| Topological Polar Surface Area | 27.7 |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 203 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Insect | Gene Symbol | Validation | Reference |
|---|---|---|---|
| Nilaparvata lugens | CYP301B1 | R | |
| Nilaparvata lugens | CYP6AX1V2 | R |