| 2D Structure | |
| CID | 1268142 |
| Target | AR , CYP19A1 , CYP2C19 , CYP2C9 |
| IUPAC Name | (4R,4aS,6R)-4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one |
| InChI | InChI=1S/C15H22O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h8,11-12H,1,5-7,9H2,2-4H3/t11-,12-,15+/m1/s1 |
| InChI Key | WTOYNNBCKUYIKC-JMSVASOKSA-N |
| Canonical SMILES | CC1CC(=O)C=C2C1(CC(CC2)C(=C)C)C |
| Isomeric SMILES | C[C@@H]1CC(=O)C=C2[C@]1(C[C@@H](CC2)C(=C)C)C |
| Molecular Formula | C15H22O |
| Molecular Weight | 218.33 |
| synonyms | ['NOOTKATONE', '(+)-Nootkatone', '4674-50-4', 'Nootkanone', '(4R,4aS,6R)-4,4a-dimethyl-6-(prop-1-en-2-yl)-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one', 'Nootkatone (natural)', '(4R,4aS,6R)-4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one', 'UNII-IZ2Y119N4J', 'FEMA No. 3166', 'IZ2Y119N4J', 'DTXSID8047050', 'CHEBI:81377', '4.beta.H,5.alpha.-Eremophila-1(10),11-dien-2-one', 'NOOTKATONE [MI]', '1(10),11-Eremophiladien-2-one', 'EINECS 225-124-4', 'NOOTKATONE [FHFI]', '2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4,4a-dimethyl-6-(1-methylethenyl)-, (4R,4aS,6R)-', 'DTXCID6027050', 'FEMA NO. 4941', 'HSDB 8272', '4Betah,5alpha-eremophila-1(10),11-dien-2-one', '4betaH,5alpha-Eremorphila-1(10)11-dien-2-one', '4,4a,5,6,7,8-Hexahydro-6-isopropenyl-4,4a-dimethyl-2(3H)-naphthalenone', '2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4,4a-dimethyl-6-(1-methylethenyl)-, [4R-(4.alpha.,4a.alpha.,6.beta.)]-', '5,6-Dimethyl-8-isopropenylbicyclo(4.4.0)dec-1-en-3-one', '4a,5-Dimethyl-1,2,3,4,4a,5,6,7-octahydro-7-keto-3-isopropenylnaphthalene', '2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4,4a-dimethyl-6-(1-methylethenyl)-, (4R-(4alpha,4aalpha,6beta))-', '4,4a,5,6,7,8-Hexahydro-4,4a-dimethyl-6-(1-methylethenyl)-2(3H)-naphthalenone, (4R-(4alpha,4aalpha,6beta))-', '5,6-DIMETHYL-8-ISOPROPENYL-BICYCLO(4,4,0)-DEC-1-EN-3-ONE', '91416-23-8', '4,4A,5,6,7,8-HEXAHYDRO-4,4A-DIMETHYL-6-(1-METHYLENE-ETHYL)-2(3H)-NAPHTHALENONE', '4,4A,5,6,7,8-HEXAHYDRO-6-ISO-PROPENYL-4,4A-DIMETHYL-2(3H)-NAPHTHALENONE', '2(3H)-NAPHTHALENONE, 4,4A,5,6,7,8-HEXAHYDRO-4,4A-DIMETHYL-6-(1-METHYLETHENYL)-, (4R-(4.ALPHA.,4A.ALPHA.,6.BETA.))-', '5,6-Dimethyl-8-isopropenyl-bicyclo', '942-649-0', '(+/-)-Nootkatone', 'Nootkatone, (+/-)-', 'Nootkatone (+/-)-form [MI]', 'UNII-3K3OKV2A5A', '3K3OKV2A5A', '7betaH-Eremophila-1(10),11-dien-2-one -', '(4RS,4Asr,6RS)-4,4a,5,6,7,8-hexahydro-4,4a-dimethyl-6-(1-methylethenyl)-2(3H)-naphthalenone', '2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4,4a-dimethyl-6-(1-methylethenyl)-, (4R,4aS,6R)-rel', 'MFCD04974578', '28834-25-5', 'Nootkatone, (+)-', 'nootkaton', '(4R,4aS,6R)-4,4a,5,6,7,8-Hexahydro-4,4a-dimethyl-6-(1-methylethenyl)-2(3H)-naphthalenone; Nootkanone', '(+)-Nootkatone, crystalline', 'Nootkatone, >=98%, FG', '(+)-5,6-dimethyl-8-isopropenylbicyclo[4.4.0]dec-1-en-3-one', 'SCHEMBL110855', 'CHEMBL446299', 'HY-N2195', 'Tox21_302385', '(+)-Nootkatone, analytical standard', 's9071', 'STL562310', 'AKOS015955823', 'CCG-266714', '(+)-Nootkatone, >=99.0% (GC)', 'NCGC00256230-01', 'AC-34548', 'AS-56160', 'XN168139', 'CAS-4674-50-4', '(+)-Nootkatone, technical, >=85% (GC)', 'CS-0019503', 'N0920', 'C17914', 'Q417896', '4.beta.H,5.alpha.-Eremorphila-1(10)11-dien-2-one', '7.BETA.H-EREMOPHILA-1(10),11-DIEN-2-ONE -', '(4R-(4alpha,4aalpha,6beta))-4,4a,5,6,7,8-Hexahydro-4,4a-dimethyl-6-(1-methylvinyl)naphthalen-2(3H)-one', '4,4a,5,6,7,8-Hexahydro-4,4a-dimethyl-6-(1-methylethenyl)-2(3H)-naphthalenone, [4R-(4.alpha.,4a.alpha.,6.beta.)]-', '6-Isopropenyl-4,4a-dimethyl-4,4a,5,6,7,8-hexahydro-2(3H)-naphthalenone-, [4R-(4.alpha.,4a.alpha.,6.beta.)]-'] |
From Pubchem