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Chrysoeriol

CAT: 0127-BUP02794-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP02794-04Size:25 mg
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CAS Number
491-71-4
Purity
=95%
Smiles
COc1cc(ccc1O)-c1cc(=O)c2c(O)cc(O)cc2o1

Chemical Information

Chrysoeriol

4',5,7-trihydroxy-3'-methoxyflavone is the 3'-O-methyl derivative of luteolin. It has a role as an antioxidant, a metabolite and an antineoplastic agent. It is a monomethoxyflavone and a trihydroxyflavone. It is functionally related to a luteolin. It is a conjugate acid of a 4',5-dihydroxy-3'-methoxyflavon-7-olate(1-).

CAS Number491-71-4
PubChem CID5280666
IUPAC Name5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
Molecular FormulaC16H12O6
Molecular Weight300.26
XLogP1.7
Topological Polar Surface Area96.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count22
Formal Charge0
Complexity462
SMILES
COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O
InChI
InChI=1S/C16H12O6/c1-21-14-4-8(2-3-10(14)18)13-7-12(20)16-11(19)5-9(17)6-15(16)22-13/h2-7,17-19H,1H3
InChIKey
SCZVLDHREVKTSH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Chrysoeriol
CAS: 491-71-4
CID: 5280666
Formula: C16H12O6
MW: 300.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight300.26
XLogP31.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass300.06338810
Monoisotopic Mass300.06338810
Topological Polar Surface Area96.2 Ų
Heavy Atom Count22
Formal Charge0
Complexity462
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA7441-25Chrysoeriol
TRC-C432820-100MGChrysoeriol (>90%)
HY-121471R-01Chrysoeriol (Standard)
UWC94148-01Chrysoeriol-d3
MBS5791837Chrysoeriol 7-neohesperidoside
MBS5760227Chrysoeriol 7-apiosylglucoside
TBZ2828Chrysoeriol-4'-O-glucoside
TBZ2130Chrysoeriol-7-O-glucoside

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