Compound Identification
SMILES
ClC1=CC(Br)=C\C(=C\NC2=CC=CC(=C2)C2=CC3=CC=CC=C3OC2=O)C1=O
InChIKey
InChIKey=HMWYFVDBVRWGNS-QINSGFPZSA-N
Formula
C22H13BrClNO3
Mass
454.7
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-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
Coumarins and derivatives 1-benzopyrans Aniline and substituted anilines O-quinomethanes Pyranones and derivatives Vinylogous amides Alpha-chloroketones Heteroaromatic compounds Lactones Vinyl chlorides Allylamines Vinyl bromides Secondary amines Bromoalkenes Chloroalkenes Enamines Oxacyclic compounds Aldehydes Organopnictogen compounds Hydrocarbon derivatives Organochlorides Organobromides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflav-3-enone skeleton - Coumarin - 1-benzopyran - Benzopyran - Quinomethane - Aniline or substituted anilines - O-quinomethane - Pyranone - Benzenoid - Pyran - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous amide - Alpha-haloketone - Alpha-chloroketone - Lactone - Cyclic ketone - Ketone - Enamine - Allylamine - Oxacycle - Chloroalkene - Bromoalkene - Haloalkene - Secondary amine - Vinyl bromide - Vinyl chloride - Vinyl halide - Organoheterocyclic compound - Organobromide - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organopnictogen compound - Aldehyde - Organic oxide - Amine - Hydrocarbon derivative - 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