Compound Identification
SMILES
BrC1=CC=C(NC(=O)C2=CC=C(C=C2)C2=CC3=CC=CC=C3OC2=O)C=C1
InChIKey
InChIKey=BDFJOUWQLOUHFN-UHFFFAOYSA-N
Formula
C22H14BrNO3
Mass
420.262
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
-
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 Benzamides Benzoyl derivatives Pyranones and derivatives Bromobenzenes Aryl bromides Heteroaromatic compounds Secondary carboxylic acid amides Lactones Oxacyclic compounds Organic oxides Organobromides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflav-3-enone skeleton - Benzanilide - Aromatic anilide - Coumarin - Benzopyran - 1-benzopyran - Benzamide - Benzoic acid or derivatives - Benzoyl - Bromobenzene - Halobenzene - Pyranone - Pyran - Aryl halide - Benzenoid - Monocyclic benzene moiety - Aryl bromide - Heteroaromatic compound - Secondary carboxylic acid amide - Lactone - Carboxamide group - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organohalogen compound - Organic nitrogen compound - Organobromide - Organonitrogen 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