Basic information
- CAS
62682-11-5- Standard SMILES
CC(C)(O)CCc1c(O)cc(O)c2c1OCC(c1ccc(O)cc1O)C2=O- InChIKey
QISUKJAAXYVLMA-UHFFFAOYSA-N- Molecular formula
- C20H22O7
- Average molar mass
- 374.4 g/mol
- Monoisotopic mass
- 374.13655304
Overview
Kievitone hydrate is a hydroxyisoflavanone that is isoflavanone substituted by hydroxy groups at positions 5, 7, 2' and 4' and a 3-hydroxy-3-methylbutyl group at position 8. It is a tertiary alcohol and a hydroxyisoflavanone. It is functionally related to a kievitone.
Names & identifiers
- Preferred name
- 3-(2,4-Dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-8-(3-hydroxy-3-methylbutyl)-4H-1-benzopyran-4-one
- IUPAC
- 3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3-hydroxy-3-methylbutyl)-2,3-dihydrochromen-4-one
Names & synonyms
Kievitone hydrate62682-11-53-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3-hydroxy-3-methylbutyl)-2,3-dihydrochromen-4-one3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3-hydroxy-3-methylbutyl)-3,4-dihydro-2H-1-benzopyran-4-oneCHEBI:17529RefChem:9356173-(2,4-Dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-8-(3-hydroxy-3-methylbutyl)-4H-1-benzopyran-4-one3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3-hydroxy-3-methylbutyl)-2,3-dihydro-4H-chromen-4-one3-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-8-(3-hydroxy-3-methylbutyl)chroman-4-oneC02549SCHEMBL1999610DTXSID20978292
Show more names
Q271024413-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-8-(3-hydroxy-3-methylbutyl)-2,3-dihydro-4H-1-benzopyran-4-one
Database identifiers
- CAS
62682-11-5- PubChem CID
- 188458
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 536
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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