Basic information
- CAS
126909-50-0- Standard SMILES
COc1ccc2c(c1CC=C(C)C)O[C@H](c1ccc(O)cc1)CC2=O- InChIKey
IIIACKGGDCVYPY-FQEVSTJZSA-N- Molecular formula
- C21H22O4
- Average molar mass
- 338.4 g/mol
- Monoisotopic mass
- 338.15180918
Overview
4'-hydroxyisoderricin has been reported in Mundulea sericea and Angelica keiskei with data available.
Names & identifiers
- Preferred name
- 4'-Hydroxy-7-methoxy-8-prenylflavanone
- IUPAC
- (2S)-2-(4-hydroxyphenyl)-7-methoxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Names & synonyms
4'-Hydroxyisoderricin4'-Hydroxy-7-methoxy-8-prenylflavanoneMundulea flavanone AMunduleaflavanone ADTXSID101315146LMPK12140045126909-50-0(2S)-2-(4-hydroxyphenyl)-7-methoxy-8-(3-methylbut-2-enyl)chroman-4-one(2S)-2-(4-Hydroxyphenyl)-7-methoxy-8-(3-methylbut-2-en-1-yl)-2,3-dihydro-4H-1-benzopyran-4-one4H-1-Benzopyran-4-one, 2,3-dihydro-2-(4-hydroxyphenyl)-7-methoxy-8-(3-methyl-2-butenyl)-, (2S)-
Database identifiers
- CAS
126909-50-0- PubChem CID
- 511789
- DTXSID
DTXSID101315146- Nikkaji
- J936.156A
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 488
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavanones [PK1214]
SpringerMaterials PropertiesChemical shift
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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