Compound Identification
SMILES
COC1=C(C=CC(O)=C1)C1COC2=CC(O)=CC(O)=C2C1=O
InChIKey
InChIKey=VODZWHSRITUHNI-UHFFFAOYSA-N
Formula
C16H14O6
Mass
302.282
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
O-methylated isoflavonoids
- Level 5 2'-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
2'-O-methylated isoflavonoids
Alternative Parents
Hydroxyisoflavonoids Isoflavanols Isoflavanones Chromones Methoxyphenols Anisoles Aryl alkyl ketones Phenoxy compounds Methoxybenzenes 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Oxacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2p-methoxyisoflavonoid-skeleton - Isoflavanol - Isoflavanone - Hydroxyisoflavonoid - Isoflavan - Chromone - Methoxyphenol - Benzopyran - 1-benzopyran - Chromane - Aryl alkyl ketone - Aryl ketone - Phenol ether - Phenoxy compound - Methoxybenzene - Anisole - 1-hydroxy-2-unsubstituted benzenoid - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Vinylogous acid - Ketone - Oxacycle - Organoheterocyclic compound - Ether - Organic oxygen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 2'-o-methylated isoflavonoids. These are isoflavonoids with methoxy groups attached to the C2' atom of the isoflavonoid backbone. Isoflavonoids are natural products derived from 3-phenylchromen-4-one.
External Descriptors
LIPIDMAPS (LMPK12050503) : Isoflavonoids