Cajanone
Basic information
- CAS
63006-48-4- Standard SMILES
CC(C)=CCc1cc(C2COc3cc4c(c(O)c3C2=O)C=CC(C)(C)O4)c(O)cc1O- InChIKey
BAKSOIVZFARRJC-UHFFFAOYSA-N- Molecular formula
- C25H26O6
- Average molar mass
- 422.5 g/mol
- Monoisotopic mass
- 422.17293854
Overview
Cajanone is a member of isoflavanones.
Names & identifiers
- Preferred name
- Cajanone
- IUPAC
- 7-[2,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5-hydroxy-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one
- English name
- 7-[2,4-Dihydroxy-5-(3-methyl-2-butenyl)phenyl]-7,8-dihydro-5-hydroxy-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one
- Molecular formula
- C25H26O6
- Molecular weight
- 422.47
Names & synonyms
CAJANONEMHB9Z7D6GS2H,6H-Benzo(1,2-b:5,4-b')dipyran-6-one, 7-(2,4-dihydroxy-5-(3-methyl-2-buten-1-yl)phenyl)-7,8-dihydro-5-hydroxy-2,2-dimethyl-RefChem:3104763006-48-4UNII-MHB9Z7D6GSNSC2944097-(2,4-Dihydroxy-5-(3-methyl-2-buten-1-yl)phenyl)-7,8-dihydro-5-hydroxy-2,2-dimethyl-2H,6H-benzo(1,2-b:5,4-b')dipyran-6-one7-[2,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5-hydroxy-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-oneCHEMBL1968439SCHEMBL29934908CHEBI:175382
Show more names
7-[2,4-Dihydroxy-5-(3-methyl-2-butenyl)phenyl]-7,8-dihydro-5-hydroxy-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one2H,6H-Benzo[1,2-b:5,4-b']dipyran-6-one, 7-[2,4-dihydroxy-5-(3-methyl-2-buten-1-yl)phenyl]-7,8-dihydro-5-hydroxy-2,2-dimethyl-
DTXSID301104133LMPK12050495NSC-294409NCI60_002437DB-2967077-(2,4-Dihydroxy-5-(3-methyl-2-butenyl)phenyl)-5-hydroxy-2,2-dimethyl-7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-6-one7-[2,4-Dihydroxy-5- (3-methyl-2-butenyl)phenyl]-7,8-dihydro-5-hydroxy-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one7-[2,4-Dihydroxy-5-(3-methyl-2-buten-1-yl)phenyl]-7,8-dihydro-5-hydroxy-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-ba(2)]dipyran-6-one
Database identifiers
- CAS
63006-48-4- PubChem CID
- 325518
- DTXSID
DTXSID301104133- ChEMBL
CHEMBL1968439- ChEBI
CHEBI:175382- UNII
- MHB9Z7D6GS
- Nikkaji
- J18.735F
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 96.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 738
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Isoflavonoids [PK1205]
Physicochemical properties
- FDA UNII
- 9 Z7D6GS · MHB9Z7D6GS
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Additional notes
DefinitionChEBI: Cajanone is a member of isoflavanones.
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Compound notes
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