Compound Identification
SMILES
COC1=C(NC(=O)C=CC2=CC(Cl)=CC(Cl)=C2OC)C=C(C=C1)C1=CC2=CC=CC=C2OC1=O
InChIKey
InChIKey=NQBLOHDAAUIHGO-UHFFFAOYSA-N
Formula
C26H19Cl2NO5
Mass
496.34
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
Cinnamic acid amides Coumaric acids and derivatives Coumarins and derivatives 1-benzopyrans Anilides Methoxyanilines Styrenes Phenoxy compounds Anisoles N-arylamides Methoxybenzenes Dichlorobenzenes Pyranones and derivatives Alkyl aryl ethers Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Lactones Oxacyclic compounds Carbonyl compounds Organic oxides Organochlorides Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflav-3-enone skeleton - Cinnamic acid amide - Cinnamic acid or derivatives - Coumaric acid or derivatives - Coumarin - Benzopyran - 1-benzopyran - Anilide - Methoxyaniline - Anisole - Methoxybenzene - Phenoxy compound - 1,3-dichlorobenzene - Phenol ether - N-arylamide - Styrene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Pyranone - Pyran - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Secondary carboxylic acid amide - Lactone - Carboxamide group - Ether - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - 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