5-Methoxy-6,7-methylenedioxyflavone
Basic information
- CAS
119120-32-0- Standard SMILES
COc1c2c(cc3oc(-c4ccccc4)cc(=O)c13)OCO2- InChIKey
NGLORVNWTNPBMU-UHFFFAOYSA-N- Molecular formula
- C17H12O5
- Average molar mass
- 296.27 g/mol
- Monoisotopic mass
- 296.06847348
Overview
5-Methoxy-6,7-methylenedioxyflavone is an ether and a member of flavonoids.
Names & identifiers
- Preferred name
- 5-Methoxy-6,7-methylenedioxyflavone
- IUPAC
- 9-methoxy-6-phenyl-[1,3]dioxolo[4,5-g]chromen-8-one
Names & synonyms
5-Methoxy-6,7-methylenedioxyflavone119120-32-09-methoxy-6-phenyl-8H-[1,3]dioxolo[4,5-g]chromen-8-one8H-1,3-Dioxolo(4,5-g)(1)benzopyran-8-one, 9-methoxy-6-phenyl-9-Methoxy-6-phenyl-[1,3]dioxolo[4,5-g]chromen-8-oneSCHEMBL974544CHEMBL186478DTXSID50152321CHEBI:186675LMPK121111019-Methoxy-6-phenyl-2H,8H-[1,3]dioxolo[4,5-g][1]benzopyran-8-one
Database identifiers
- CAS
119120-32-0- PubChem CID
- 189609
- DTXSID
DTXSID50152321- ChEMBL
CHEMBL186478- ChEBI
CHEBI:186675- Nikkaji
- J692.197C
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 468
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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