Basic information
- Standard SMILES
COc1ccc2c(c1CC=C(C)C)O[C@H](c1ccc(O)cc1O)CC2- InChIKey
OAUAVKGFNHNNGR-FQEVSTJZSA-N- Molecular formula
- C21H24O4
- Average molar mass
- 340.4 g/mol
Overview
(2S)-2',4'-dihydroxy-7-methoxy-8-prenylflavan has been reported in Morus alba, Cassia fistula, and Broussonetia papyrifera with data available.
Names & identifiers
- Preferred name
- (2S)-2',4'-dihydroxy-7-methoxy-8-prenylflavan
- IUPAC
- 4-[(2S)-7-methoxy-8-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-2-yl]benzene-1,3-diol
Names & synonyms
(2S)-2',4'-dihydroxy-7-methoxy-8-prenylflavanOAUAVKGFNHNNGR-FQEVSTJZSA-Norb1683805SCHEMBL6819201SCHEMBL41170218HY-N9294TN2720AKOS040760985CS-01591794-[(2S)-7-methoxy-8-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-2-yl]benzene-1,3-diol
Database identifiers
- PubChem CID
- 10132047
- Nikkaji
- J3.038.022C
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 459
Related reactions
1 records
Compound notes
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