Compound Identification
SMILES
BrC1=CC(C2=NC3=CC=CC=C3S2)=C(NC(=O)C2=CC=C(C=C2)C2=CC3=CC=CC=C3OC2=O)C=C1
InChIKey
InChIKey=IISIJBXIUNHJLT-UHFFFAOYSA-N
Formula
C29H17BrN2O3S
Mass
553.43
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
Benzanilides Coumarins and derivatives 1-benzopyrans Benzamides Benzothiazoles Benzoyl derivatives Pyranones and derivatives Bromobenzenes Aryl bromides Thiazoles Heteroaromatic compounds Secondary carboxylic acid amides Lactones Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflav-3-enone skeleton - Benzanilide - Aromatic anilide - Coumarin - Benzopyran - 1-benzopyran - Benzamide - Benzoic acid or derivatives - 1,3-benzothiazole - Benzoyl - Bromobenzene - Halobenzene - Pyranone - Pyran - Aryl halide - Benzenoid - Aryl bromide - Monocyclic benzene moiety - Thiazole - Azole - Heteroaromatic compound - Secondary carboxylic acid amide - Lactone - Carboxamide group - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen 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