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Di-O-demethylcurcumin

CAT: 0804-HY-N2317-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N2317-01Size:1 mg
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Description
Di-O-demethylcurcumin (Bisdemethylcurcumin) is an intestinal metabolite of curcumin with neuroprotective effects[1].
CAS Number
60831-46-1
Product Name Alternative
Bisdemethylcurcumin; LI-01008
UNSPSC
12352005
Target
Endogenous Metabolite
Related Pathways
Metabolic Enzyme/Protease
Field of Research
Neurological Disease
Smiles
O=C(CC(/C=C/C1=CC=C(O)C(O)=C1)=O)/C=C/C2=CC=C(O)C(O)=C2
Molecular Formula
C19H16O6
Molecular Weight
340.33
References & Citations
[1]Burapan S, et al. Curcuminoid demethylation as an alternative metabolism by human intestinal microbiota[J]. Journal of Agricultural and Food Chemistry, 2017, 65 (16) : 3305-3310.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Bis(3,4-Dihydroxy-trans-cinnamoyl)methane
CAS Number60831-46-1
PubChem CID5469425
IUPAC Name(1E,6E)-1,7-bis(3,4-dihydroxyphenyl)hepta-1,6-diene-3,5-dione
Molecular FormulaC19H16O6
Molecular Weight340.3
XLogP2.5
Topological Polar Surface Area115
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count25
Formal Charge0
Complexity480
SMILES
C1=CC(=C(C=C1/C=C/C(=O)CC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O
InChI
InChI=1S/C19H16O6/c20-14(5-1-12-3-7-16(22)18(24)9-12)11-15(21)6-2-13-4-8-17(23)19(25)10-13/h1-10,22-25H,11H2/b5-1+,6-2+
InChIKey
OJFGQVZAISEIPG-IJIVKGSJSA-N
Chemical Structure
2D Structure
2D structure of Bis(3,4-Dihydroxy-trans-cinnamoyl)methane
CAS: 60831-46-1
CID: 5469425
Formula: C19H16O6
MW: 340.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight340.3
XLogP32.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass340.09468823
Monoisotopic Mass340.09468823
Topological Polar Surface Area115 Ų
Heavy Atom Count25
Formal Charge0
Complexity480
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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