Compound: Valencene
SMILES: C12=CCC[C@H]([C@@]1(C[C@H](C(=C)C)CC2)C)C
InChIKey: QEBNYNLSCGVZOH-NFAWXSAZSA-N
Synonyms: Valencene, (+)-Valencene, 4630-07-3, Valencen, (3R,4aS,5R)-4a,5-dimethyl-3-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalene, FEMA No. 3443, DTXSID8047052, 96H21P91IG, DTXCID6027052, CHEBI:61700, 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)-, Naphthalene, 1,2,3,5,6,7,8,8A-octahydro-1,8A-dimethyl-7-(1-methylethenyl)-, (1R-(1alpha,7beta,8aalpha))-, RefChem:901568, 225-047-6, MFCD00075884, Valencene (Technical Grade), Valencene (natural), ent-7betaH-eremophila-10(1),11-diene, (+)-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, valence, valencene(+)-val, Valencene (Standard), (A+/-)-valencene, 4.beta.H,5.alpha.-Eremophila-1(10),11-diene, VALENCENE [FHFI], (+)-Valencene, tech grade, SCHEMBL53289, UNII-96H21P91IG, Valencene, natural, >=65%, orb1819338, CHEMBL3186909, HY-N6636R, (+)-Valencene, analytical standard, HY-N6636, NAPHTHALENE, 1,2,3,5,6,7,8,8A-OCTAHYDRO-1,8A-DIMETHYL-7-(1-METHYLETHENYL)-, (1R-(1.ALPHA.,7.BETA.,8A.ALPHA.))-, EINECS 225-047-6, Tox21_302397, (+)-Valencene, technical, >=70%, AKOS027460688, EBC-616854, FV60312, NSC 148969, NCGC00256249-01, AC-37598, MS-23110, CAS-4630-07-3, CS-0044199, C17277, F71379, Q289496, 4alpha,10alpha-Dimethyl-6beta-isopropyl-delta1,9-octalin, 4alpha,10alpha-Dimethyl-6beta-isopropyl-.DELTA.1,9-octalin, (3R,4aS,5R)-3-isopropenyl-4a,5-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene, [1R-(1alpha,7beta,8aalpha)]-1,2,3,5,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethenyl)-naphthalene, 1,2,3,5,6,7,8,8a-Octahydro-1,8A-dimethyl-7-(1-methylethenyl)naphthalene, (1R-(1alpha,7beta,8aalpha))-
Theoretical properties:
molecular_formula: C15H24
molecular_weight: 204.35 g/mol
exact_mass: 204.187800766 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 0
rotatable_bond_count: 1
heavy_atom_count: 15
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
density: 0.914-0.919
solubility: Insoluble in water; soluble in oils
Descriptions:
pubchem: (+)-valencene is a carbobicyclic compound and sesquiterpene that is 1,2,3,4,4a,5,6,7-octahydronaphthalene which is substituted a prop-1-en-2-yl group at position 3 and by methyl groups at positions 4a and 5 (the 3R,4aS,5R- diastereoisomer). It is a sesquiterpene, a polycyclic olefin and a carbobicyclic compound.
chebi: A carbobicyclic compound and sesquiterpene that is 1,2,3,4,4a,5,6,7-octahydronaphthalene which is substituted a prop-1-en-2-yl group at position 3 and by methyl groups at positions 4a and 5  (the 3<i>R</i>,4a<i>S</i>,5<i>R</i>- diastereoisomer).
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Valencene is a sesquiterpene that is an aroma component of citrus fruit and citrus-derived odorants.  It is obtained inexpensively from Valencia oranges.  Valencene is biosynthesized from farnesyl pyrophosphate (FPP) by the CVS enzyme.
It is used as a precursor to nootkatone, the main contributor to the aroma and flavor of grapefruit.