| 2D Structure | |
| CID | 261491 |
| Target | CYP2C19 , CYP2D6 |
| IUPAC Name | (1S,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one |
| InChI | InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3/t7-,8-,10+/m1/s1 |
| InChI Key | USMNOWBWPHYOEA-MRTMQBJTSA-N |
| Canonical SMILES | CC1C2CC2(CC1=O)C(C)C |
| Isomeric SMILES | C[C@@H]1[C@H]2C[C@]2(CC1=O)C(C)C |
| Molecular Formula | C10H16O |
| Molecular Weight | 152.23 |
| synonyms | ['(-)-alpha-thujone', 'THUJONE', 'Thujon', 'l-Thujone', '(-)-3-Isothujone', '(-)-3-thujanone', 'Absinthol', 'UNII-R0SQ9G0DU5', 'EINECS 208-912-2', 'NSC 93742', 'BRN 4660369', 'CCRIS 8582', 'CHEBI:9577', '(1S,4R,5R)-thujan-3-one', '3-Thujanone, (-)-', '(1S,4R,5R)-(-)-3-thujanone', '(1S,4R,5R)-1-isopropyl-4-methylbicyclo[3.1.0]hexan-3-one', '(1S,4R,5R)-4-methyl-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-one', '86HK1QRJ4K', 'CHEBI:50040', '(1S,4R,5R)-1-isopropyl-4-methylbicyclo(3.1.0)hexan-3-one', '(1S,4R,5R)-4-methyl-1-(propan-2-yl)bicyclo(3.1.0)hexan-3-one', '(1S-(1alpha,4alpha,5alpha))-4-methyl-1-(1-methylethyl)bicyclo(3.1.0)hexan-3-one', '[1S-(1alpha,4alpha,5alpha)]-4-methyl-1-(1-methylethyl)bicyclo[3.1.0]hexan-3-one', '(-)-alpha,beta-Thujone', 'BICYCLO(3.1.0)HEXAN-3-ONE, 4-METHYL-1-(1-METHYLETHYL)-, (1S,5R)-', '4-methyl-1-(propan-2-yl)bicyclo(3.1.0)hexan-3-one', 'alpha-Thujone', '546-80-5', 'alpha-(-)-Thujone', '(+-)-Isothujone', 'MFCD00001313', '59573-80-7', 'R0SQ9G0DU5', '3-Thujanone, (1S,4R,5R)-(-)-', 'Bicyclo[3.1.0]hexan-3-one, 4-methyl-1-(1-methylethyl)-, (1S,4R,5R)-', 'DTXSID3026148', '(1S,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one', 'Bicyclo(3.1.0)hexan-3-one, 4-methyl-1-(1-methylethyl)-, (1S,4R,5R)-', '(-)-Thujone', '(1S,4R)-1-Isopropyl-4-methylbicyclo[3.1.0]hexan-3-one', 'dl-Thujone', 'racemic 3-Isothujone', '.alpha.-Thujone', '(-)-|A-Thujone', '3-Thujanone, (+-)-', 'NSC-93742', 'L-alpha-Thujone', '??-Thujone', '(-)-trans-Thujone', '(-)-a-Thujone', 'ALFA-THUJONE', '(?)-|A-Thujone', '(-)- alpha -Thujone', 'a-(-)-THUJONE', 'THUJONE, .ALPHA.-', 'MLS001065588', 'SCHEMBL122447', '.ALPHA.-THUJONE [MI]', 'DTXCID206148', 'GTPL5344', 'CHEMBL1444078', 'USMNOWBWPHYOEA-MRTMQBJTSA-N', 'HMS3039B05', '(1R,2R,5S)-5-isopropyl-2-methyl-bicyclo[3.1.0]hexan-3-one', 'Tox21_200868', '(-)-Thujone ((-)-alpha-Thujone)', 'MSK163943', '(1S,4R,5R)- 3-THUJANONE', 'AKOS040759330', 'LMPR0102120019', 'Bicyclo(3.1.0)hexan-3-one, 4-methyl-1-(1-methylethyl)-, (1-alpha,4-alpha,5-alpha)-(+-)-', 'NCGC00091438-01', 'NCGC00091438-02', 'NCGC00164360-01', 'NCGC00258422-01', 'CAS-546-80-5', 'MS-22862', 'SMR000568469', '(-)-alpha-Thujone, >=96.0% (GC)', '1ST163943', 'HY-121618', 'CS-0082886', 'NS00003614', 'C09906', 'Q421838', '(-)-alpha-Thujone, (1S,4R)-1-Isopropyl-4-methylbicyclo[3.1.0]hexan-3-one'] |
From Pubchem