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AG00ADK4

Name: Demethyl Curcumin
Brand: Angene Chemical
SKU: AG00ADK4

149732-51-4 | Demethyl Curcumin

Chemical structure of Demethyl Curcumin, CAS 149732-51-4

AG00ADK4

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CAS Number	149732-51-4
Catalog Number	AG00ADK4(AGN-PC-0Q3QN5)
Chemical Name	Demethyl Curcumin
IUPAC Name	(1E,6E)-1-(3,4-dihydroxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
InChI	InChI=1S/C20H18O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)12-15(21)6-2-13-4-8-17(23)19(25)10-13/h2-11,23-25H,12H2,1H3/b6-2+,7-3+
InChI Key	FFRFJIZJLZXEJX-YPCIICBESA-N
MDL Number	MFCD18379318
Molecular Formula	C20H18O6
Molecular Weight	354.3533
NSC Number	687844
SMILES	OC=1C=C(C=CC1O)\C=C\C(CC(\C=C\C1=CC(=C(C=C1)O)OC)=O)=O
UNII	422O27405E
Synonyms	Demethyl Curcumin, 149732-51-4, NSC687844, Mono-O-Demethylcurcumin, UNII-422O27405E, CHEMBL103410, 422O27405E, 1,6-Heptadiene-3,5-dione, 1-(3,4-dihydroxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-, (1E,6E)-, Monodemethylcurcumin, O-Demethylcurcumin, demethylcurcumin, AC1NV639, MEGxp0_000958, SCHEMBL3673716, ACon1_000860, DTXSID00420209, ZINC5543044, BDBM50059987, NSC-687844, 1,6-Heptadiene-3,5-dione, 1-(3,4-dihydroxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-, (E,E)-, NCGC00169287-01, ACM149732514, J-008617, (1E,6E)-1-(3,4-dihydroxyphenyl)-7-(4-hydroxy-3-methoxy-phenyl)hepta-1,6-diene-3,5-dione, (1E,6E)-1-(3,4-Dihydroxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione, (1E,6E)-1-(3,4-dihydroxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione, 1-(3,4-Dihydroxyphenyl)-7-(3-methoxy-4-hydroxyphenyl)-1,6-heptadiene-3,5-dione, 1-(3,4-dihydroxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione, (1E,6E)-1-(3,4-Dihydroxy-phenyl)-7-(4-hydroxy-3-methoxy-phenyl)-hepta-1,6-diene-3,5-dione, CID5469426,

Complexity	540
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Exact Mass	354.11g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	354.358g/mol
Monoisotopic Mass	354.11g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	104A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

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Reviewed by:Jessie

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Angene International Limited