Basic information
- Standard SMILES
COc1cc(OC)c([C@H]2COc3cc(O)ccc3C2=O)cc1OC- InChIKey
NBWNNMPJMTYRRO-CYBMUJFWSA-N- Molecular formula
- C18H18O6
- Average molar mass
- 330.3 g/mol
- Monoisotopic mass
- 330.1103383
Overview
(3S)-7-hydroxy-3-(2,4,5-trimethoxyphenyl)-2,3-dihydrochromen-4-one has been reported in Dalbergia odorifera and Eysenhardtia polystachya with data available.
Names & identifiers
- Preferred name
- (3S)-7-hydroxy-3-(2,4,5-trimethoxyphenyl)-2,3-dihydrochromen-4-one
- IUPAC
- (3S)-7-hydroxy-3-(2,4,5-trimethoxyphenyl)-2,3-dihydrochromen-4-one
Names & synonyms
CHEMBL2397753
Database identifiers
- ChEMBL
CHEMBL2397753
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 74.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 441
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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