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2',5,6',7-Tetrahydroxyflavone

CAT: 0926-HDA47500-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0926-HDA47500-01Size:2 mg
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CAS Number
82475-00-1
Smiles
C1=CC (=C (C (=C1) O) C2=CC (=O) C3=C (C=C (C=C3O2) O) O) O
Molecular Formula
C15H10O6
Molecular Weight
286.24 g/mol
Controlled
No

Chemical Information

4H-1-Benzopyran-4-one, 2-(2,6-dihydroxyphenyl)-5,7-dihydroxy-

5,7,2',6'-Tetrahydroxyflavone has been reported in Scutellaria amoena, Andrographis macrobotrys, and other organisms with data available.

CAS Number82475-00-1
PubChem CID5321865
IUPAC Name2-(2,6-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
Molecular FormulaC15H10O6
Molecular Weight286.24
XLogP1.4
Topological Polar Surface Area107
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count21
Formal Charge0
Complexity437
SMILES
C1=CC(=C(C(=C1)O)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O
InChI
InChI=1S/C15H10O6/c16-7-4-10(19)15-11(20)6-13(21-12(15)5-7)14-8(17)2-1-3-9(14)18/h1-6,16-19H
InChIKey
WJXXUIYFPVIHDH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4H-1-Benzopyran-4-one, 2-(2,6-dihydroxyphenyl)-5,7-dihydroxy-
CAS: 82475-00-1
CID: 5321865
Formula: C15H10O6
MW: 286.24
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight286.24
XLogP31.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass286.04773803
Monoisotopic Mass286.04773803
Topological Polar Surface Area107 Ų
Heavy Atom Count21
Formal Charge0
Complexity437
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