Compound Identification
SMILES
CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C1=CC=C(\C=C\C#N)C=C1
InChIKey
InChIKey=AYKJQCIGGOHEJW-AATRIKPKSA-N
Formula
C22H20N2O2
Mass
344.414
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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 Styrenes Dialkylarylamines Pyranones and derivatives Heteroaromatic compounds Lactones Oxacyclic compounds Nitriles Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflav-3-enone skeleton - Coumarin - Benzopyran - 1-benzopyran - Styrene - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Pyranone - Monocyclic benzene moiety - Benzenoid - Pyran - Heteroaromatic compound - Tertiary amine - Lactone - Organoheterocyclic compound - Oxacycle - Carbonitrile - Nitrile - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Amine - Cyanide - Organic oxygen compound - Organic nitrogen 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