Compound Identification
SMILES
COC1=CC=C(C=C1)C1C(O)OC2=C(C=CC(O)=C2)C1=O
InChIKey
InChIKey=PKQQPELXMZRYJY-UHFFFAOYSA-N
Formula
C16H14O5
Mass
286.283
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Isoflavonoids
-
Subclass
O-methylated isoflavonoids
- Level 5 4'-O-methylated isoflavonoids
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Subclass
O-methylated isoflavonoids
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Class
Isoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Isoflavonoids
Subclass
O-methylated isoflavonoids
Intermediate Tree Nodes
Not available
Direct Parent
4'-O-methylated isoflavonoids
Alternative Parents
Isoflavanols Hydroxyisoflavonoids 2-hydroxyisoflavanones Chromones Phenoxy compounds Methoxybenzenes Aryl alkyl ketones Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Hemiacetals Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4p-methoxyisoflavonoid - 2-hydroxyisoflavanone - Hydroxyisoflavonoid - Isoflavanol - Isoflavanone - Isoflavan - Chromone - Chromane - Benzopyran - 1-benzopyran - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Monocyclic benzene moiety - Hemiacetal - Ketone - Organoheterocyclic compound - Oxacycle - Ether - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 4'-o-methylated isoflavonoids. These are isoflavonoids with methoxy groups attached to the C4' atom of the isoflavonoid backbone. Isoflavonoids are natural products derived from 3-phenylchromen-4-one.
External Descriptors
CHEBI:62734 :
lactol - hydroxyisoflavanone - methoxyisoflavanone
KEGG (C16190) :
isoflavanones
META CYC (CPD-3502) :
a small molecule