Compound Identification
SMILES
CC1=CC(Br)=C(C=C1)C1C(=O)OC2=CC=CC=C2C1=O
InChIKey
InChIKey=XWDZUKHPSUONMA-UHFFFAOYSA-N
Formula
C16H11BrO3
Mass
331.165
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
-
Class
Isoflavonoids
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Subclass
Isoflavans
- Level 5 Isoflavanones
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Subclass
Isoflavans
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Class
Isoflavonoids
-
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 Chromones 3,4-dihydrocoumarins Aryl alkyl ketones Toluenes Bromobenzenes Aryl bromides 1,3-dicarbonyl compounds Lactones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflavanone - 3-arylcoumarin flavonoid - 3,4-dihydrocoumarin - Chromone - Benzopyran - 1-benzopyran - Chromane - Aryl ketone - Aryl alkyl ketone - Toluene - Halobenzene - Bromobenzene - Benzenoid - Aryl bromide - Monocyclic benzene moiety - 1,3-dicarbonyl compound - Aryl halide - Carboxylic acid ester - Lactone - Ketone - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organobromide - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Organohalogen compound - Hydrocarbon derivative - 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