Basic information
- CAS
84638-48-2- Standard SMILES
Cc1c(O)cc2c(c1O)C(=O)[C@H](Cc1ccc(O)cc1)CO2- InChIKey
BFVOQLBTLZMHPR-LLVKDONJSA-N- Molecular formula
- C17H16O5
- Average molar mass
- 300.3 g/mol
- Monoisotopic mass
- 300.09977361
Names & identifiers
- Preferred name
- (3R)-5,7-Dihydroxy-6-methyl-3-(4'-hydroxybenzyl)chroman-4-one
- IUPAC
- (3R)-5,7-dihydroxy-3-[(4-hydroxyphenyl)methyl]-6-methyl-2,3-dihydrochromen-4-one
- English name
- (3R)-5,7-Dihydroxy-6-methyl-3-(4'-hydroxybenzyl)chroman-4-one
- Molecular formula
- C17H16O5
- Molecular weight
- 300.31
Names & synonyms
84638-48-2(3R)-5,7-Dihydroxy-6-methyl-3-(4'-hydroxybenzyl)chroman-4-oneLPRP-Et-97543(3R)-5,7-Dihydroxy-3-(4-hydroxybenzyl)-6-methyl-2,3-dihydro-4H-1-benzopyran-4-one(3R)-5,7-dihydroxy-3-[(4-hydroxyphenyl)methyl]-6-methyl-2,3-dihydrochromen-4-one(R)-5,7-Dihydroxy-3-(4-hydroxybenzyl)-6-methylchroman-4-oneorb1684849CHEMBL2385398SCHEMBL29173125HY-N8168TN1270AKOS040760222
Show more names
Hydantoin Impurity 27Pinostrobin Impurity 24H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-3-[(4-hydroxyphenyl)methyl]-6-methyl-, (3R)-
FS-7278(3R)-5,7-dihydroxy-3-[(4-hydroxyphenyl)methyl]-6-methyl-3,4-dihydro-2H-1-benzopyran-4-oneDA-69085CS-01402415,7,4'-trihydroxy-6-methyl homoisoflavanoneE88951(3R)-5,7-dihydroxy-6-methyl-3-(4'-hydroxybenzyl)-chroman-4-one(3R)-5,7-dihydroxyl-6-methyl-3-(4'-hydroxylbenzyl)-chroman-4-one
Database identifiers
- CAS
84638-48-2- PubChem CID
- 71585044
- ChEMBL
CHEMBL2385398- Nikkaji
- J3.336.481D
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 404
Physicochemical properties
- Boiling point
- 587.3 · 587.3±39.0 °C(Predicted)
- Density
- 1.405 · 1.405±0.06 g/cm3(Predicted)
- pka
- 7.89 · 7.89±0.40(Predicted)
Chemistry & industry
Applications
UsesLPRP-Et-97543 is a potent anti-HBV agent. LPRP-Et-97543 reduces Core, S, and preS but not X promoter activities. LPRP-Et-97543 can be used for acute and chronic HBV infections research[1].
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Related reactions
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Compound notes
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