Basic information
- Standard SMILES
COc1cc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc(OC)c1OC- InChIKey
CTALFFOVOLJORS-ZDUSSCGKSA-N- Molecular formula
- C18H18O7
- Average molar mass
- 346.3 g/mol
- Monoisotopic mass
- 346.10525292
Overview
(2S)-5,7-Dihydroxy-3',4',5'-trimethoxy-2,3-dihydroflavone has been reported in Paulownia tomentosa with data available.
Names & identifiers
- Preferred name
- (2S)-5,7-dihydroxy-2-(3,4,5-trimethoxyphenyl)-2,3-dihydrochromen-4-one
- IUPAC
- (2S)-5,7-dihydroxy-2-(3,4,5-trimethoxyphenyl)-2,3-dihydrochromen-4-one
Names & synonyms
CHEMBL3581354
Database identifiers
- ChEMBL
CHEMBL3581354- Nikkaji
- J3.498.541C
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 94.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 456
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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