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Hexahydrocurcumin

CAT: 1568-C02041-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:1568-C02041-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
36062-05-2
SKU
C02041-1mg
Target
COX
Applications
Neuronal Signaling
Additionnal Information
Hexahydrocurcumin is one of the major metabolites of curcumin and a selective, orally active COX-2 inhibitor, which has antioxidant, anticancer and anti-inflammatory activities.
Storage Conditions
3 years -20°C powder

Chemical Information

Hexahydrocurcumin

Hexahydrocurcumin is a diarylheptanoid.

CAS Number36062-05-2
PubChem CID5318039
IUPAC Name5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)heptan-3-one
Molecular FormulaC21H26O6
Molecular Weight374.4
XLogP2.7
Topological Polar Surface Area96.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count27
Formal Charge0
Complexity442
SMILES
COC1=C(C=CC(=C1)CCC(CC(=O)CCC2=CC(=C(C=C2)O)OC)O)O
InChI
InChI=1S/C21H26O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h5-6,9-12,16,22,24-25H,3-4,7-8,13H2,1-2H3
InChIKey
RSAHICAPUYTWHW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hexahydrocurcumin
CAS: 36062-05-2
CID: 5318039
Formula: C21H26O6
MW: 374.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight374.4
XLogP32.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass374.17293854
Monoisotopic Mass374.17293854
Topological Polar Surface Area96.2 Ų
Heavy Atom Count27
Formal Charge0
Complexity442
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA5911-5.1Hexahydrocurcumin
451860-01Hexahydrocurcumin-d6
HY-N0929R-01Hexahydrocurcumin (Standard)

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