Compound Identification
SMILES
COC1=C(O)C=CC(=C1)[C@]1(COC2=C(C=CC(O)=C2)C1=O)OC
InChIKey
InChIKey=YDOVKKFFTNUVRS-KRWDZBQOSA-N
Formula
C17H16O6
Mass
316.309
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 3-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
3-O-methylated isoflavonoids
Alternative Parents
3'-O-methylated isoflavonoids Isoflavanones Isoflavanols Hydroxyisoflavonoids Chromones Methoxyphenols Benzylethers Phenoxy compounds Methoxybenzenes Aryl alkyl ketones Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Oxacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-methoxyisoflavonoid-skeleton - 3p-methoxyisoflavonoid-skeleton - Hydroxyisoflavonoid - Isoflavanone - Isoflavanol - Isoflavan - Chromone - 1-benzopyran - Methoxyphenol - Benzopyran - Chromane - Benzylether - Phenoxy compound - Methoxybenzene - Aryl alkyl ketone - Aryl ketone - Phenol ether - Anisole - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Ketone - Oxacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3-o-methylated isoflavonoids. These are isoflavonoids with methoxy groups attached to the C3 atom of the isoflavonoid backbone. Isoflavonoids are natural products derived from 3-phenylchromen-4-one.
External Descriptors
Not available