Compound Identification
SMILES
OC1=C(Cl)C=C2C(=O)C(=COC2=C1)C1=CC(OCCCCC#N)=CC=C1
InChIKey
InChIKey=FBDBRXPNFMWKTA-UHFFFAOYSA-N
Formula
C20H16ClNO4
Mass
369.8
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
-
Class
Isoflavonoids
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Subclass
Isoflav-2-enes
- Level 5 Isoflavones
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Subclass
Isoflav-2-enes
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Class
Isoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Isoflavonoids
Subclass
Isoflav-2-enes
Intermediate Tree Nodes
Not available
Direct Parent
Isoflavones
Alternative Parents
Hydroxyisoflavonoids Chromones Phenoxy compounds Phenol ethers Halophenols Pyranones and derivatives Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Heteroaromatic compounds Oxacyclic compounds Nitriles Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflavone - Hydroxyisoflavonoid - Chromone - Benzopyran - 1-benzopyran - Phenoxy compound - 2-halophenol - Phenol ether - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyranone - Pyran - Aryl halide - Aryl chloride - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Oxacycle - Organoheterocyclic compound - Ether - Nitrile - Carbonitrile - Organic oxygen compound - Cyanide - Organohalogen compound - Organic oxide - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoflavones. These are polycyclic compounds containing a 2-isoflavene skeleton which bears a ketone group at the C4 carbon atom.
External Descriptors
Not available