Dimethylcurcumin

CAT: 0127-BUP00165-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP00165-02Size:5 mg

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CAS Number

52328-98-0

Synonyms

ASC-J9, GO-Y025

Purity

=95%

Smiles

COc1ccc(\C=C\C(\O)=C\C(=O)\C=C\c2ccc(OC)c(OC)c2)cc1OC

Chemical Information

Dimethylcurcumin

Dimethylcurcumin is an organic molecular entity. It has a role as an androgen antagonist.

CAS Number	52328-98-0
PubChem CID	6477182
IUPAC Name	(1E,4Z,6E)-1,7-bis(3,4-dimethoxyphenyl)-5-hydroxyhepta-1,4,6-trien-3-one
Molecular Formula	C23H24O6
Molecular Weight	396.4
XLogP	4.6
Topological Polar Surface Area	74.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Heavy Atom Count	29
Formal Charge	0
Complexity	596

SMILES

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

InChI

InChI=1S/C23H24O6/c1-26-20-11-7-16(13-22(20)28-3)5-9-18(24)15-19(25)10-6-17-8-12-21(27-2)23(14-17)29-4/h5-15,24H,1-4H3/b9-5+,10-6+,18-15-

InChIKey

ZMGUKFHHNQMKJI-CIOHCNBKSA-N

Chemical Structure

2D Structure

CAS: 52328-98-0

CID: 6477182

Formula: C23H24O6

MW: 396.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	396.4
XLogP3	4.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Exact Mass	396.15728848
Monoisotopic Mass	396.15728848
Topological Polar Surface Area	74.2 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	596
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	3
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes