(2S)-2,3-Dihydro-5,7-dihydroxy-2-(2-hydroxyphenyl)-6,8-dimethyl-4H-1-benzopyran-4-one
Basic information
- CAS
77744-53-7- Standard SMILES
Cc1c(O)c(C)c2c(c1O)C(=O)C[C@@H](c1ccccc1O)O2- InChIKey
WOGYXYDORXIAGE-ZDUSSCGKSA-N- Molecular formula
- C17H16O5
- Average molar mass
- 300.3 g/mol
- Monoisotopic mass
- 300.09977361
Overview
(2S)-2'-hydroxydemethoxymatteucinol is a trihydroxyflavanone that is demethoxymatteucinol with an additional hydroxy group at position 2'. Isolated from Pisonia aculeata, it exhibits antitubercular activity. It has a role as an antitubercular agent and a plant metabolite. It is functionally related to a matteucinol.
Names & identifiers
- Preferred name
- (2S)-2,3-Dihydro-5,7-dihydroxy-2-(2-hydroxyphenyl)-6,8-dimethyl-4H-1-benzopyran-4-one
- IUPAC
- (2S)-5,7-dihydroxy-2-(2-hydroxyphenyl)-6,8-dimethyl-2,3-dihydrochromen-4-one
- English name
- (2S)-2,3-Dihydro-5,7-dihydroxy-2-(2-hydroxyphenyl)-6,8-dimethyl-4H-1-benzopyran-4-one
- Molecular formula
- C17H16O5
- Molecular weight
- 0
Names & synonyms
77744-53-74H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(2-hydroxyphenyl)-6,8-dimethyl-, (2S)-DTXSID60228364RefChem:934756DTXCID80150855(2S)-2,3-Dihydro-5,7-dihydroxy-2-(2-hydroxyphenyl)-6,8-dimethyl-4H-1-benzopyran-4-oneCHEMBL1802147CHEBI:67371(2S)-2'-hydroxydemethoxymatteucinol(2S)-5,7-dihydroxy-2-(2-hydroxyphenyl)-6,8-dimethyl-2,3-dihydrochromen-4-oneSCHEMBL29422267BDBM50278271
Show more names
Matteucin
(2S)-2''''-Hydroxydemethoxymatteucinol2',4,5-trihydroxy-6,8-dimethylflavanoneQ27135829(2S)-5,7-Dihydroxy-2-(2-hydroxyphenyl)-6,8-dimethyl-2,3-dihydro-4H-1-benzopyran-4-one(2S)-5,7-dihydroxy-2-(2-hydroxyphenyl)-6,8-dimethyl-2,3-dihydro-4H-benzopyran-4-one(2S)-5,7-Dihydroxy-2-(2-hydroxyphenyl)-6,8-dimethyl-2,3-dihydro-4H-chromen-4-one
Database identifiers
- CAS
77744-53-7
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 425
Chemistry & industry
Additional notes
DefinitionChEBI: (2S)-2'-hydroxydemethoxymatteucinol is a trihydroxyflavanone that is demethoxymatteucinol with an additional hydroxy group at position 2'. Isolated from Pisonia aculeata, it exhibits antitubercular activity. It has a role as an antitubercular agent and a plant metabolite. It is functionally related to a matteucinol.
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