Compound Identification
SMILES
CC1=CC(Br)=C(C=C1)C1C(=O)OC2=C(C=CC(Cl)=C2)C1=O
InChIKey
InChIKey=HJGJGAPBPKBTDL-UHFFFAOYSA-N
Formula
C16H10BrClO3
Mass
365.61
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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Class
Isoflavonoids
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Subclass
Isoflavans
- Level 5 Isoflavanones
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Subclass
Isoflavans
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Class
Isoflavonoids
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Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Isoflavonoids
Subclass
Isoflavans
Intermediate Tree Nodes
Not available
Direct Parent
Isoflavanones
Alternative Parents
3-arylcoumarin flavonoids 3,4-dihydrocoumarins Chromones Aryl alkyl ketones Toluenes Bromobenzenes 1,3-dicarbonyl compounds Aryl bromides Aryl chlorides Carboxylic acid esters Lactones Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Organochlorides Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflavanone - 3-arylcoumarin flavonoid - 3,4-dihydrocoumarin - Chromone - Chromane - Benzopyran - 1-benzopyran - Aryl alkyl ketone - Aryl ketone - Bromobenzene - Halobenzene - Toluene - Benzenoid - 1,3-dicarbonyl compound - Aryl bromide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Lactone - Carboxylic acid ester - Ketone - Oxacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organochloride - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organohalogen compound - Organobromide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoflavanones. These are polycyclic compounds containing an isoflavan skeleton which bears a ketone at position C4.
External Descriptors
Not available