Compound Identification
SMILES
COC1=CC=CC=C1NC1=CC=C(C=C1)C1=COC2=C(C=CC(O)=C2)C1=O
InChIKey
InChIKey=IXGHJCKMIVBIQM-UHFFFAOYSA-N
Formula
C22H17NO4
Mass
359.381
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Isoflavonoids
-
Subclass
Isoflav-2-enes
- Level 5 Isoflavones
-
Subclass
Isoflav-2-enes
-
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 Aminophenyl ethers Methoxyanilines Methoxybenzenes Anisoles Phenoxy compounds Alkyl aryl ethers Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids Primary aromatic amines Heteroaromatic compounds Oxacyclic compounds Secondary amines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflavone - Hydroxyisoflavonoid - Chromone - 1-benzopyran - Benzopyran - Methoxyaniline - Aminophenyl ether - Phenol ether - Aniline or substituted anilines - Phenoxy compound - Methoxybenzene - Anisole - Pyranone - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Primary aromatic amine - Benzenoid - Pyran - Monocyclic benzene moiety - Heteroaromatic compound - Organoheterocyclic compound - Oxacycle - Ether - Secondary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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