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Valencene

CAT: 0931-T17214-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T17214-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
4630-07-3
Target
Interleukin, NF-κB, Antioxidant
Related Pathways
Immunology/Inflammation, NF-κB, Oxidation-Reduction
Purity
0.93
Bioactivity
Valencene (NSC-148969) is a sesquiterpenoid isolated from Cyperus rotundus and is an aroma component of citrus fruits and citrus-derived odors.ValenceneValencene has anti-allergic, anti-inflammatory, anti-melanogenic, and antioxidant activities. Valencene inhibits the overexpression of Th2 chemokines and pro-inflammatory chemokines by blocking the NF-κB pathway.
Smiles
C[C@@H]1CCC=C2CC[C@H](C[C@@]12C)C(C)=C
Molecular Formula
C15H24
Molecular Weight
204.35
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Valencene

(+)-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.

CAS Number4630-07-3
PubChem CID9855795
IUPAC Name(3R,4aS,5R)-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene
Molecular FormulaC15H24
Molecular Weight204.35
XLogP5.2
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Heavy Atom Count15
Formal Charge0
Complexity297
SMILES
C[C@@H]1CCC=C2[C@]1(C[C@@H](CC2)C(=C)C)C
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
InChIKey
QEBNYNLSCGVZOH-NFAWXSAZSA-N
Chemical Structure
2D Structure
2D structure of Valencene
CAS: 4630-07-3
CID: 9855795
Formula: C15H24
MW: 204.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight204.35
XLogP35.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Exact Mass204.187800766
Monoisotopic Mass204.187800766
Topological Polar Surface Area0 Ų
Heavy Atom Count15
Formal Charge0
Complexity297
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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292030-01Valencene
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TRC-V915233-50MGValencene (>85%)
HY-N6636R-01Valencene (Standard)
AR-V06240-01Valencene-d5
V00030-01Valencene natural 65%
468540-01Valencene-D5 (Major) discontinued
MBS1317607-01Recombinant Vitis vinifera Valencene synthase (ValCS), partial

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