Basic information
- Standard SMILES
COc1cc2c(c3c1[C@H](O)[C@H](O)[C@@H](c1ccc(O)cc1)O3)C=CC(C)(C)O2- InChIKey
GUGLXICOVCCFRU-GBESFXJTSA-N- Molecular formula
- C21H22O6
- Average molar mass
- 370.4 g/mol
- Monoisotopic mass
- 370.14163842
Overview
4beta-hydroxyobovatachromene is an organic molecular entity.
Names & identifiers
- Preferred name
- 4beta-Hydroxyobovatachromene
- IUPAC
- (2R,3S,4S)-2-(4-hydroxyphenyl)-5-methoxy-8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-h]chromene-3,4-diol
Names & synonyms
4beta-Hydroxyobovatachromene(2R,3S,4S)-2-(4-hydroxyphenyl)-5-methoxy-8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-h]chromene-3,4-diol(2R,3S,4S)-2-(4-hydroxyphenyl)-5-methoxy-8,8-dimethyl-3,4-dihydro-2H-pyrano(2,3-h)chromene-3,4-diol4b-HydroxyobovatachromeneRefChem:10063676265-10-6CHEBI:230551LMPK12020213
Database identifiers
- ChEBI
CHEBI:230551
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 88.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 555
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavans, Flavanols and Leucoanthocyanidins [PK1202]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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