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4-O-Methylochnaflavone

CAT: 1410-M38942-01Size: 1 EachDry Ice: NoHazardous: No
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Description
4'-O-Methylochnaflavone is a natural product
CAS Number
49619-87-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
552.48
Molecular Formula
C31H20O10
Notes
Research use only, not for human use.
Receptor
Other Targets

Chemical Information

4'-O-Methylochnaflavone

Ochnaflavone 4'-methyl ether is a flavonoid oligomer.

CAS Number49619-87-6
PubChem CID5384799
IUPAC Name2-[4-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-methoxyphenoxy]phenyl]-5,7-dihydroxychromen-4-one
Molecular FormulaC31H20O10
Molecular Weight552.5
XLogP5.6
Topological Polar Surface Area152
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Heavy Atom Count41
Formal Charge0
Complexity1050
SMILES
COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)OC4=CC=C(C=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O
InChI
InChI=1S/C31H20O10/c1-38-24-7-4-16(26-14-23(37)31-21(35)10-18(33)12-29(31)41-26)8-27(24)39-19-5-2-15(3-6-19)25-13-22(36)30-20(34)9-17(32)11-28(30)40-25/h2-14,32-35H,1H3
InChIKey
PRQWQWSKFNQAOG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4'-O-Methylochnaflavone
CAS: 49619-87-6
CID: 5384799
Formula: C31H20O10
MW: 552.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight552.5
XLogP35.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Exact Mass552.10564683
Monoisotopic Mass552.10564683
Topological Polar Surface Area152 Ų
Heavy Atom Count41
Formal Charge0
Complexity1050
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

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