Compound Identification
SMILES
CC1=C[N+](=CC=C1)C1=C(O)C=CC(O)=C1C1=C([O-])OC2=CC=CC=C2C1=O
InChIKey
InChIKey=KXERONTXRNQHKI-UHFFFAOYSA-N
Formula
C21H15NO5
Mass
361.353
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
-
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 Coumarins and derivatives Hydroquinones 1-hydroxy-2-unsubstituted benzenoids Pyranones and derivatives Methylpyridines Benzene and substituted derivatives Pyridinium derivatives Heteroaromatic compounds Vinylogous acids Oxacyclic compounds Azacyclic compounds Organic salts Organic oxides Hydrocarbon derivatives Organic zwitterions Organonitrogen compounds Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflavone - Hydroxyisoflavonoid - Chromone - Coumarin - 1-benzopyran - Benzopyran - Hydroquinone - Phenol - Pyranone - 1-hydroxy-2-unsubstituted benzenoid - Methylpyridine - Pyridine - Benzenoid - Pyran - Monocyclic benzene moiety - Pyridinium - Vinylogous acid - Heteroaromatic compound - Organoheterocyclic compound - Azacycle - Oxacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - 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