Compound Identification
SMILES
CC(OC1=CC2=C(C=C1)C(=O)C(=CO2)C1=CC=C(O)C=C1)C1CNCCN1
InChIKey
InChIKey=PAYJBGGCBBTRMT-UHFFFAOYSA-N
Formula
C21H22N2O4
Mass
366.417
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
Chromones Phenol ethers Pyranones and derivatives Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Piperazines Benzene and substituted derivatives Heteroaromatic compounds Oxacyclic compounds Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflavone - Chromone - Benzopyran - 1-benzopyran - Phenol ether - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyranone - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Pyran - Benzenoid - Heteroaromatic compound - Oxacycle - Ether - Secondary aliphatic amine - Azacycle - Secondary amine - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organic nitrogen compound - Organic oxygen compound - 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