Crotmadine
Basic information
- CAS
92662-86-7- Standard SMILES
CC1(C)CCc2c(C(=O)/C=C/c3ccc(O)cc3)ccc(O)c2O1- InChIKey
IHXFKGYLEMDOHV-WEVVVXLNSA-N- Molecular formula
- C20H20O4
- Average molar mass
- 324.4 g/mol
- Monoisotopic mass
- 324.13615911
Overview
(e)-1-(8-Hydroxy-2,2-dimethylchroman-5-yl)-3-(4-hydroxyphenyl)prop-2-en-1-one has been reported in Crotalaria madurensis with data available.
Names & identifiers
- Preferred name
- Crotmadine
- IUPAC
- (E)-1-(8-hydroxy-2,2-dimethyl-3,4-dihydrochromen-5-yl)-3-(4-hydroxyphenyl)prop-2-en-1-one
Names & synonyms
Crotmadine92662-86-7(E)-1-(8-hydroxy-2,2-dimethyl-3,4-dihydrochromen-5-yl)-3-(4-hydroxyphenyl)prop-2-en-1-oneRefChem:919212(e)-1-(8-hydroxy-2,2-dimethylchroman-5-yl)-3-(4-hydroxyphenyl)prop-2-en-1-oneSCHEMBL15620335LMPK12120192DA-625074'',5''-Dihydro-4,4'-dihydroxy-6'',6''-dimethylpyrano[2'',3'':3'',2']chalcone
Database identifiers
- CAS
92662-86-7- PubChem CID
- 6442991
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 476
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Chalcones and dihydrochalcones [PK1212]
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Related reactions
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Compound notes
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