| 2D Structure | |
| CID | 9855795 |
| Target | AR , CYP19A1 , CYP2C19 , CYP2C9 , GLI3 , NFE2L2 , NR1I2 , PPARG , TSHR , VDR |
| IUPAC Name | (3R,4aS,5R)-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene |
| InChI | InChI=1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h7,12-13H,1,5-6,8-10H2,2-4H3/t12-,13-,15+/m1/s1 |
| InChI Key | QEBNYNLSCGVZOH-NFAWXSAZSA-N |
| Canonical SMILES | CC1CCC=C2C1(CC(CC2)C(=C)C)C |
| Isomeric SMILES | C[C@@H]1CCC=C2[C@]1(C[C@@H](CC2)C(=C)C)C |
| Molecular Formula | C15H24 |
| Molecular Weight | 204.35 |
| synonyms | ['Valencene', '(+)-Valencene', '4630-07-3', 'Valencen', 'Valencene (natural)', 'FEMA No. 3443', '(3R,4aS,5R)-4a,5-dimethyl-3-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalene', 'DTXSID8047052', 'CHEBI:61700', '96H21P91IG', 'VALENCENE [FHFI]', 'ent-7betaH-eremophila-10(1),11-diene', 'DTXCID6027052', 'EINECS 225-047-6', 'NSC 148969', 'NSC-148969', '4Betah,5alpha-eremophila-1(10),11-diene', 'Naphthalene, 1,2,3,5,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethenyl)-, (1R,7R,8aS)-', '4.beta.H,5.alpha.-Eremophila-1(10),11-diene', '4alpha,10alpha-Dimethyl-6beta-isopropyl-delta1,9-octalin', '4alpha,10alpha-Dimethyl-6beta-isopropyl-.DELTA.1,9-octalin', '1,2,3,5,6,7,8,8a-Octahydro-1,8A-dimethyl-7-(1-methylethenyl)naphthalene, (1R-(1alpha,7beta,8aalpha))-', 'NAPHTHALENE, 1,2,3,5,6,7,8,8A-OCTAHYDRO-1,8A-DIMETHYL-7-(1-METHYLETHENYL)-, (1R-(1.ALPHA.,7.BETA.,8A.ALPHA.))-', 'Naphthalene, 1,2,3,5,6,7,8,8A-octahydro-1,8A-dimethyl-7-(1-methylethenyl)-, (1R-(1alpha,7beta,8aalpha))-', 'Naphthalene, 1,2,3,5,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethenyl)-, [1R-(1.alpha.,7.beta.,8a.alpha.)]-', 'VALENCENE [INCI]', '4betaH,5alpha-Eremophila-1(10),11-diene (8CI)', '997297', 'Valencene (Technical Grade)', '(+)-Valencene 1000 microg/mL in Isopropanol', '(3R,4aS,5R)-4a,5-Dimethyl-3-isopropenyl-1,2,3,4,4a,5,6,7-octahydronaphthalene', '(1R-(1alpha,7beta,8alpha))-1,2,3,5,6,7,8,8a-Octahydro-1,8a-dimethyl-7-(1-methylvinyl)naphthalene', '(3R,4aS,5R)-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene', 'MFCD00075884', 'Valencene (Standard)', '(A+/-)-valencene', '(+)-Valencene, tech grade', 'UNII-96H21P91IG', 'Valencene, natural, >=65%', 'CHEMBL3186909', 'HY-N6636R', '(+)-Valencene, analytical standard', 'HY-N6636', 'Tox21_302397', '(+)-Valencene, technical, >=70%', 'AKOS027460688', 'FV60312', 'NCGC00256249-01', 'AC-37598', 'MS-23110', 'CAS-4630-07-3', 'CS-0044199', 'C17277', 'F71379', 'Q289496'] |
From Pubchem