2'-O-Methylcajanone
Basic information
- CAS
71765-79-2- Standard SMILES
COc1cc(O)c(CC=C(C)C)cc1C1COc2cc3c(c(O)c2C1=O)C=CC(C)(C)O3- InChIKey
REBVXJPVOISSEO-UHFFFAOYSA-N- Molecular formula
- C26H28O6
- Average molar mass
- 436.5 g/mol
- Monoisotopic mass
- 436.18858861
Overview
2'-O-Methylcajanone is a member of isoflavanones.
Names & identifiers
- Preferred name
- 2'-O-Methylcajanone
- IUPAC
- 5-hydroxy-7-[4-hydroxy-2-methoxy-5-(3-methylbut-2-enyl)phenyl]-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one
Names & synonyms
2'-O-MethylcajanoneCHEBI:175518REBVXJPVOISSEO-UHFFFAOYSA-NDTXSID201102946LMPK120504975-hydroxy-7-[4-hydroxy-2-methoxy-5-(3-methylbut-2-enyl)phenyl]-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one71765-79-22H,6H-Benzo[1,2-b:5,4-ba(2)]dipyran-6-one, 7,8-dihydro-5-hydroxy-7-[4-hydroxy-2-methoxy-5-(3-methyl-2-butenyl)phenyl]-2,2-dimethyl-5-Hydroxy-7-[4-hydroxy-2-methoxy-5-(3-methyl-2-butenyl)phenyl]-2,2-dimethyl-7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-6-one #7,8-Dihydro-5-hydroxy-7-[4-hydroxy-2-methoxy-5-(3-methyl-2-butenyl)phenyl]-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one
Database identifiers
- CAS
71765-79-2- PubChem CID
- 634867
- DTXSID
DTXSID201102946- ChEBI
CHEBI:175518- Nikkaji
- J543.211A
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 85.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 753
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Isoflavonoids [PK1205]
Melting Point85 °C
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
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Related reactions
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Compound notes
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