Compound Identification
SMILES
CC1=C(C(=O)C2=C(O1)C=C(OCC(=O)C1=CC=C(Cl)C=C1)C=C2)C1=CC=C(Br)C=C1
InChIKey
InChIKey=AXDDFDPNEHRNCU-UHFFFAOYSA-N
Formula
C24H16BrClO4
Mass
483.74
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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Class
Isoflavonoids
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Subclass
Isoflav-2-enes
- Level 5 Isoflavones
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Subclass
Isoflav-2-enes
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Class
Isoflavonoids
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Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Isoflavonoids
Subclass
Isoflav-2-enes
Intermediate Tree Nodes
Not available
Direct Parent
Isoflavones
Alternative Parents
Alkyl-phenylketones Chromones Aryl alkyl ketones Benzoyl derivatives Pyranones and derivatives Alkyl aryl ethers Bromobenzenes Chlorobenzenes Aryl bromides Aryl chlorides Heteroaromatic compounds Oxacyclic compounds Organic oxides Aldehydes Organobromides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflavone - Alkyl-phenylketone - Chromone - Benzopyran - 1-benzopyran - Phenylketone - Benzoyl - Aryl ketone - Aryl alkyl ketone - Alkyl aryl ether - Pyranone - Bromobenzene - Halobenzene - Chlorobenzene - Benzenoid - Pyran - Aryl bromide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Ketone - Oxacycle - Organoheterocyclic compound - Ether - Aldehyde - Organic oxygen compound - Organohalogen compound - Organobromide - Organochloride - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoflavones. These are polycyclic compounds containing a 2-isoflavene skeleton which bears a ketone group at the C4 carbon atom.
External Descriptors
Not available