Demethoxycurcumin

CAT: 0926-FD20982-05Size: 1000 mgDry Ice: NoHazardous: No

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CAT#:0926-FD20982-05Size:1000 mg

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CAS Number

22608-11-3

Synonyms

(1E,6E) -1- (4-Hydroxy-3-methoxyphenyl) -7- (4-hydroxyphenyl) -1,6-heptadiene-3,5-dione; (1E,6E) -1- (4-Hydroxyphenyl) -7- (4-hydroxy-3-methox yphenyl) -1,6-heptadiene-3,5-dione

MDL Number

MFCD03427310

Smiles

COC1=C (C=CC (=C1) /C=C/C (=O) CC (=O) /C=C/C2=CC=C (C=C2) O) O

Molecular Formula

C20H18O5

Molecular Weight

338.35 g/mol

Controlled

Chemical Information

Demethoxycurcumin

Demethoxycurcumin is a beta-diketone that is curcumin in which one of the methoxy groups is replaced by hydrogen. It is found in Curcuma zedoaria and Etlingera elatior. It has a role as a metabolite, an antineoplastic agent and an anti-inflammatory agent. It is a polyphenol, an enone, a beta-diketone and a diarylheptanoid.

CAS Number	22608-11-3
PubChem CID	5469424
IUPAC Name	(1E,6E)-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione
Molecular Formula	C20H18O5
Molecular Weight	338.4
XLogP	3.3
Topological Polar Surface Area	83.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Heavy Atom Count	25
Formal Charge	0
Complexity	502

SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)CC(=O)/C=C/C2=CC=C(C=C2)O)O

InChI

InChI=1S/C20H18O5/c1-25-20-12-15(6-11-19(20)24)5-10-18(23)13-17(22)9-4-14-2-7-16(21)8-3-14/h2-12,21,24H,13H2,1H3/b9-4+,10-5+

InChIKey

HJTVQHVGMGKONQ-LUZURFALSA-N

Chemical Structure

2D Structure

CAS: 22608-11-3

CID: 5469424

Formula: C20H18O5

MW: 338.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	338.4
XLogP3	3.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	338.11542367
Monoisotopic Mass	338.11542367
Topological Polar Surface Area	83.8 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	502
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
MBS3609785-01	demethoxycurcumin
HY-N0006R-01	Demethoxycurcumin (Standard)
HY-N0006S-01	Demethoxycurcumin-d7
HY-N0006S1-01	Demethoxycurcumin-d4
A14545-25	Demethoxycurcumin 25mg
A14545-5	Demethoxycurcumin 5mg

Demethoxycurcumin

Chemical Information

Alternative Products

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