Compound Identification
SMILES
BrC1=CC=CC(=C1)C1=NC2=C(O1)C=CC(NC(=O)C1=CC=C(C=C1)C1=CC3=CC=CC=C3OC1=O)=C2
InChIKey
InChIKey=DNMJCWNQWJIHGN-UHFFFAOYSA-N
Formula
C29H17BrN2O4
Mass
537.369
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
Phenyl-1,3-oxazoles Coumarins and derivatives 1-benzopyrans Benzamides Benzoxazoles Benzoyl derivatives Pyranones and derivatives Bromobenzenes Aryl bromides Heteroaromatic compounds Secondary carboxylic acid amides Lactones Azacyclic compounds Oxacyclic compounds Organic oxides Organobromides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflav-3-enone skeleton - Coumarin - Phenyl-1,3-oxazole - 1-benzopyran - Benzopyran - Benzamide - Benzoxazole - Benzoic acid or derivatives - Benzoyl - Halobenzene - Bromobenzene - Pyranone - Pyran - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Oxazole - Azole - Heteroaromatic compound - Secondary carboxylic acid amide - Lactone - Carboxamide group - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organobromide - Organopnictogen compound - Organohalogen 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