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Azaleatin

CAT: 0127-BUP02816-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP02816-02Size:10 mg
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CAS Number
529-51-1
Purity
=98%
Smiles
COc1cc(O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c12

Chemical Information

Azaleatin

Azaleatin is a monomethoxyflavone that is quercetin in which the hydroxy group at position 5 is replaced by a methoxy group. It has a role as a plant metabolite. It is a monomethoxyflavone, a tetrahydroxyflavone and a 7-hydroxyflavonol. It is functionally related to a quercetin.

CAS Number529-51-1
PubChem CID5281604
IUPAC Name2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-5-methoxychromen-4-one
Molecular FormulaC16H12O7
Molecular Weight316.26
XLogP1.3
Topological Polar Surface Area116
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity503
SMILES
COC1=CC(=CC2=C1C(=O)C(=C(O2)C3=CC(=C(C=C3)O)O)O)O
InChI
InChI=1S/C16H12O7/c1-22-11-5-8(17)6-12-13(11)14(20)15(21)16(23-12)7-2-3-9(18)10(19)4-7/h2-6,17-19,21H,1H3
InChIKey
RJBAXROZAXAEEM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Azaleatin
CAS: 529-51-1
CID: 5281604
Formula: C16H12O7
MW: 316.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight316.26
XLogP31.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass316.05830272
Monoisotopic Mass316.05830272
Topological Polar Surface Area116 Ų
Heavy Atom Count23
Formal Charge0
Complexity503
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
AB2878Azaleatin
HY-N12854Azaleatin-3-rutinoside

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