Compound Identification
SMILES
CC1=C(C(=O)OC2=C1C=CC(OCC#N)=C2)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=NBZQGDSLTLFHNT-UHFFFAOYSA-N
Formula
C18H12ClNO3
Mass
325.75
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
Coumarins and derivatives 1-benzopyrans Phenol ethers Pyranones and derivatives Chlorobenzenes Alkyl aryl ethers Aryl chlorides Heteroaromatic compounds Lactones Oxacyclic compounds Nitriles Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflav-3-enone skeleton - Coumarin - Benzopyran - 1-benzopyran - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Pyranone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Lactone - Organoheterocyclic compound - Oxacycle - Ether - Carbonitrile - Nitrile - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Cyanide - Organic oxygen compound - Organonitrogen compound - Organochloride - Organooxygen 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