Products for Research Use Only
RegisterLogin

Hexahydrocurcumin

CAT: 0931-TQ0288-02Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-TQ0288-02Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
36062-05-2
Target
Reactive Oxygen Species, COX, ROS
Related Pathways
NF-κB, Metabolism, Neuroscience, Immunology/Inflammation
Purity
0.9988
Bioactivity
Hexahydrocurcumin is a selective, orally active COX-2 inhibitor and inactive against COX-1.
Smiles
COc1cc(CCC(O)CC(=O)CCc2ccc(O)c(OC)c2)ccc1O
Molecular Formula
C21H26O6
Molecular Weight
374.43
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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)

Popular Products