Compound Identification
SMILES
[Cl-].OC1=C(C[NH+]2CCOCC2)C2=C(C=C1)C(=O)C(=CO2)C1=CC=CC=C1
InChIKey
InChIKey=GRGICIRGYVZQHJ-UHFFFAOYSA-N
Formula
C20H20ClNO4
Mass
373.83
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-2-enes
- Level 5 Isoflavones
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Subclass
Isoflav-2-enes
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Class
Isoflavonoids
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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 Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids Aralkylamines Morpholines Benzene and substituted derivatives Heteroaromatic compounds Quaternary ammonium salts Trialkylamines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organic zwitterions Organic oxides Organic chloride salts Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hydroxyisoflavonoid - Isoflavone - Chromone - Benzopyran - 1-benzopyran - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aralkylamine - Pyranone - Monocyclic benzene moiety - Morpholine - Oxazinane - Pyran - Benzenoid - Heteroaromatic compound - Quaternary ammonium salt - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Azacycle - Oxacycle - Ether - Dialkyl ether - Organic zwitterion - Organic salt - Organic chloride salt - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - 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