| 2D Structure | |
| CID | 519382 |
| Target | CYP1A2 , CYP2C19 , CYP2C9 , CYP3A4 |
| IUPAC Name | 4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-one |
| InChI | InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-9H2,1-4H3 |
| InChI Key | QJJDNZGPQDGNDX-UHFFFAOYSA-N |
| Canonical SMILES | CC1=C(C(CCC1)(C)C)CCC(=O)C |
| Isomeric SMILES | CC1=C(C(CCC1)(C)C)CCC(=O)C |
| Molecular Formula | C13H22O |
| Molecular Weight | 194.31 |
| synonyms | ['Dihydro-beta-ionone', '17283-81-7', 'FEMA No. 3626', '2-Butanone, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-', '710YK6CESE', '4-(2,6,6-Trimethyl-1-cyclohexenyl)-2-butanone', 'EINECS 241-318-1', 'Dihydro-.beta.-ionone', 'AI3-32482', '4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)butan-2-one', 'DTXSID4047200', 'DTXCID2027200', '4-(2,6,6-trimethyl-1-cyclohexenyl)butan-2-one', 'DIHYDRO-.BETA.-IONONE [FHFI]', '4-(2,6,6-trimethylcyclohex-1-en-1-yl)butan-2-one', '4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-butanone', '7,8-Dihydro-beta-ionone', 'Dihydro-b-ionone', '4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-one', 'UNII-710YK6CESE', 'CHEBI:18015', '.alpha.,.beta.-Dihydro-.beta.-ionone', 'Dihydro-|A-ionone', 'Latia oxyluciferin', 'Dihydro-fA-ionone', '4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-butanone; 7,8-Dihydro-ss-ionone; Dihydro-ss-ionone; a,ss-Dihydro-ss-ionone; ss-7,8-Dihydroionone; dihydro-ss-Ionone', 'MFCD00456730', '5-Megastigmen-9-one', 'DIHYDRO-?-IONONE', '.beta.-Ionone, dihydro-', '7,8-Dehydro-beta-ionone', 'C03527', '.beta.-7,8-Dihydroionone', '7,8-Dihydro-.beta.-ionone', 'SCHEMBL441670', 'alpha,beta-Dihydro-beta-ionone', 'Dihydro-beta-ionone, >=90%', 'CHEMBL3188345', 'Tox21_302666', 'AKOS015903877', 'FS-4346', 'NCGC00256712-01', 'CAS-17283-81-7', 'CS-0153466', 'D5751', 'NS00013271', 'D93119', '4-(2,6,6-trimethyl-1-cyclohexenyl)-butan-2-one', '4-(2,6,6-trimethylcyclohex-1-enyl)butan-2-one', '4-(2,6,6-trimethyl-cyclohex-1-enyl)-butan-2-one', '1-(1,1,5-Trimethylcyclohex-5-en-6-yl)-butan-3-one', '4-(2,6,6-trimethyl-cyclohex-1 -enyl)-butan-2-one', 'Q27102766', '4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-butanone, 9CI', '2-BUTANONE, 4-(2,6,6- TRIMETHYL-1-CYCLOHEXEN-1-YL)-', 'InChI=1/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-9H2,1-4H'] |
From Pubchem