Compound Identification
SMILES
COC1=C(Br)C=C(C=C1)C(=O)NC1=CC(Cl)=C(C=C1)C1=CC2=CC=CC=C2OC1=O
InChIKey
InChIKey=PXVPIESQMMMNAZ-UHFFFAOYSA-N
Formula
C23H15BrClNO4
Mass
484.73
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
Isoflav-3-enes
- Level 5 Isoflav-3-enones
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Subclass
Isoflav-3-enes
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Class
Isoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Isoflavonoids
Subclass
Isoflav-3-enes
Intermediate Tree Nodes
Not available
Direct Parent
Isoflav-3-enones
Alternative Parents
Benzanilides Coumarins and derivatives 1-benzopyrans 3-halobenzoic acids and derivatives Benzamides Phenoxy compounds Anisoles Methoxybenzenes Benzoyl derivatives Pyranones and derivatives Alkyl aryl ethers Bromobenzenes Chlorobenzenes Aryl bromides Aryl chlorides Heteroaromatic compounds Lactones Secondary carboxylic acid amides Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides Organochlorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflav-3-enone skeleton - Benzanilide - Aromatic anilide - Coumarin - Benzopyran - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 1-benzopyran - Benzoic acid or derivatives - Benzamide - Phenoxy compound - Benzoyl - Anisole - Phenol ether - Methoxybenzene - Pyranone - Alkyl aryl ether - Halobenzene - Chlorobenzene - Bromobenzene - Aryl chloride - Pyran - Aryl bromide - Aryl halide - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Lactone - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organobromide - Organohalogen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoflav-3-enones. These are flavonoids with a structure based on an isoflav-3-ene skeleton bearing an oxo-group at position C2.
External Descriptors
Not available