Compound Identification
SMILES
CC1=CC(OCC(=O)NC2=CC(Cl)=C(C=C2)C2=CC3=CC=CC=C3OC2=O)=CC(C)=C1Cl
InChIKey
InChIKey=ILKGTTDRDGLEEJ-UHFFFAOYSA-N
Formula
C25H19Cl2NO4
Mass
468.33
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
Coumarins and derivatives 1-benzopyrans Anilides m-Xylenes N-arylamides Phenol ethers Phenoxy compounds Alkyl aryl ethers Pyranones and derivatives Chlorobenzenes Aryl chlorides Heteroaromatic compounds Lactones Secondary carboxylic acid amides Oxacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflav-3-enone skeleton - Coumarin - Benzopyran - 1-benzopyran - Anilide - Phenoxy compound - Phenol ether - M-xylene - Xylene - N-arylamide - Alkyl aryl ether - Chlorobenzene - Halobenzene - Pyranone - Pyran - Aryl halide - Benzenoid - Monocyclic benzene moiety - Aryl chloride - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Lactone - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Organohalogen compound - Carbonyl group - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxide - 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