Oxyayanin A
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Basic information
- CAS
549-17-7- Standard SMILES
COc1cc(O)c2c(=O)c(OC)c(-c3cc(O)c(OC)cc3O)oc2c1- InChIKey
KGJTXYKKHKRNIM-UHFFFAOYSA-N- Molecular formula
- C18H16O8
- Average molar mass
- 360.3 g/mol
- Monoisotopic mass
- 360.08451746
Overview
Oxyayanin A is a trihydroxyflavone that is flavone substituted by hydroxy groups at positioms 5, 2' and 5' and methoxy groups at positions 3, 7 and 4' respectively. It has a role as a plant metabolite. It is a trihydroxyflavone and a trimethoxyflavone. It is functionally related to a flavone.
Names & identifiers
- Preferred name
- Oxyayanin A
- IUPAC
- 2-(2,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-3,7-dimethoxychromen-4-one
- English name
- OXYAYANINA
- Molecular formula
- C18H16O8
- Molecular weight
- 360.31
Names & synonyms
Oxyayanin AOxyanin A549-17-7CHEBI:7854DTXSID404151745,2',5'-trihydroxy-3,7,4'-trimethoxyflavone2-(2,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-3,7-dimethoxychromen-4-one2-(2,5-dihydroxy-4-methoxy-phenyl)-5-hydroxy-3,7-dimethoxy-chromen-4-oneRefChem:169020DTXCID303660252-(2,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-3,7-dimethoxy-4H-1-benzopyran-4-oneFlavone. 2',5,5'-trihydroxy-3,4',7-trimethoxy-
Show more names
OXYAYANINA2',5,5'-Trihydroxy-3,4',7-trimethoxyflavone4H-1-Benzopyran-4-one, 2-(2,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-3,7-dimethoxy-
CHEMBL491989LMPK12112516Q27107598
Database identifiers
- CAS
549-17-7
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 561
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
Chemistry & industry
Additional notes
DefinitionChEBI: A trihydroxyflavone that is flavone substituted by hydroxy groups at positioms 5, 2' and 5' and methoxy groups at positions 3, 7 and 4' respectively.
Related reactions
0 records
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Compound notes
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