Kushenol M
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Basic information
- CAS
101236-51-5- Standard SMILES
C=C(C)[C@H](CC=C(C)C)Cc1c(O)c(CC=C(C)C)c(O)c2c1O[C@H](c1ccc(O)cc1O)[C@@H](O)C2=O- InChIKey
AMIPWEKLJVRITL-XRRXVPKJSA-N- Molecular formula
- C30H36O7
- Average molar mass
- 508.6 g/mol
- Monoisotopic mass
- 508.24610348
Overview
Kushenol M has been reported in Sophora flavescens with data available.
Names & identifiers
- Preferred name
- Kushenol M
- IUPAC
- (2R,3R)-2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-(3-methylbut-2-enyl)-8-[(2R)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]-2,3-dihydrochromen-4-one
- English name
- Kushenol M
- Molecular formula
- C30H36O7
- Molecular weight
- 508.6
Names & synonyms
Kushenol M101236-51-5(2R,3R)-2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-(3-methylbut-2-enyl)-8-[(2R)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]-2,3-dihydrochromen-4-one(2R,3R)-2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-(3-methylbut-2-enyl)-8-((2R)-5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2,3-dihydrochromen-4-oneRefChem:1515524H-1-Benzopyran-4-one, 2-(2,4-dihydroxyphenyl)-2,3-dihydro-3,5,7-trihydroxy-6-(3-methyl-2-butenyl)-8-(5-methyl-2-(1-methylethenyl)-4-hexenyl)-, (2R-(2alpha,3beta,8(R*)))-orb1682245SCHEMBL27013445DTXSID20906015HY-N8094TN4400AKOS040761960
Show more names
(2R,3R)-2-(2,4-Dihydroxyphenyl)-2,3-dihydro-3,5,7-trihydroxy-6-(3-methyl-2-buten-1-yl)-8-[(2R)-5-methyl-2-(1-methylethenyl)-4-hexen-1-yl]-4H-1-benzopyran-4-one4H-1-Benzopyran-4-one,2-(2,4-dihydroxyphenyl)-2,3-dihydro-3,5,7-trihydroxy-6-(3-methyl-2-buten-1-yl)-8-[(2R)-5-methyl-2-(1-methylethenyl)-4-hexen-1-yl]-,(2R,3R)-
FS-7686DA-54705CS-0139941(2R,3R)-2-(2,4-Dihydroxyphenyl)-3,5,7-trihydroxy-6-(3-methylbut-2-en-1-yl)-8-[(2R)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]-2,3-dihydro-4H-1-benzopyran-4-one2-(2,4-Dihydroxyphenyl)-3,5,7-trihydroxy-6-(3-methylbut-2-en-1-yl)-8-[5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]-2,3-dihydro-4H-1-benzopyran-4-one4H-1-Benzopyran-4-one, 2-(2,4-dihydroxyphenyl)-2,3-dihydro-3,5,7-trihydroxy-6-(3-methyl-2-butenyl)-8-(5-methyl-2-(1-methylethenyl)-4- hexenyl)-, (2R-(2alpha,3beta,8(R*)))-
Properties
Computed structural propertiesFilling in
- XLogP
- 7.2
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 871
Physicochemical properties
- solubility
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- form
- Oil
Chemistry & industry
Applications
UsesKushenol M is a flavonoid from Sophora flavescens. Kushenol M is a cytochrome P450 (CYP) inhibitor, with IC50 values of 1.29 μM for CYP3A4 in human liver microsomes[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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