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(3R,5R) -Octahydrocurcumin

CAT: 1410-M38434Size: 1 EachDry Ice: NoHazardous: No
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Description
(3R,5R) -Octahydrocurcumin (Compound 7) is gut microbial metabolite of Curcumin (HY-N0005) . (3R,5R) -Octahydrocurcumin exhibits neuroprotective efficacy against Aβ25-35-induced cell damage in SH-SY5Y, and anti-inflammatory activity against LPS-stimulated mouse microglial BV-2.
CAS Number
408324-14-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
376.44
Molecular Formula
C21H28O6
Notes
Research use only, not for human use.
Receptor
Other Targets

Chemical Information

(3R,5R)-Octahydrocurcumin

(3R,5R)-1,7-bis(4-hydroxy-3-methoxyphenyl)-3,5-heptanediol has been reported in Dioscorea oppositifolia and Tacca chantrieri with data available.

CAS Number408324-14-1
PubChem CID10883331
IUPAC Name(3R,5R)-1,7-bis(4-hydroxy-3-methoxyphenyl)heptane-3,5-diol
Molecular FormulaC21H28O6
Molecular Weight376.4
XLogP3.2
Topological Polar Surface Area99.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count27
Formal Charge0
Complexity370
SMILES
COC1=C(C=CC(=C1)CC[C@H](C[C@@H](CCC2=CC(=C(C=C2)O)OC)O)O)O
InChI
InChI=1S/C21H28O6/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/h5-6,9-12,16-17,22-25H,3-4,7-8,13H2,1-2H3/t16-,17-/m1/s1
InChIKey
OELMAFBLFOKZJD-IAGOWNOFSA-N
Chemical Structure
2D Structure
2D structure of (3R,5R)-Octahydrocurcumin
CAS: 408324-14-1
CID: 10883331
Formula: C21H28O6
MW: 376.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight376.4
XLogP33.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass376.18858861
Monoisotopic Mass376.18858861
Topological Polar Surface Area99.4 Ų
Heavy Atom Count27
Formal Charge0
Complexity370
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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