Compound Identification
SMILES
COC1=C(O)C(O)=C(C=C1)C1=CC2=C(OC1)C=C(O)C=C2
InChIKey
InChIKey=XUHWJLMOAFPKEV-UHFFFAOYSA-N
Formula
C16H14O5
Mass
286.283
Taxonomic Classification
Taxonomy Tree
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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 4'-O-methylated isoflavonoids
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Subclass
O-methylated isoflavonoids
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Class
Isoflavonoids
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Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Isoflavonoids
Subclass
O-methylated isoflavonoids
Intermediate Tree Nodes
4'-O-methylated isoflavonoids
Direct Parent
3'-hydroxy,4'-methoxyisoflavonoids
Alternative Parents
Hydroxyisoflavonoids Isoflav-3-enes Methoxyphenols 1-benzopyrans Phenoxy compounds Methoxybenzenes Catechols Anisoles Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Oxacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3'-hydroxy,4'-methoxyisoflavonoid - Hydroxyisoflavonoid - Isoflav-3-ene skeleton - Methoxyphenol - 1-benzopyran - Benzopyran - Methoxybenzene - Catechol - Phenoxy compound - Phenol ether - Anisole - 1-hydroxy-4-unsubstituted benzenoid - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Oxacycle - Organoheterocyclic compound - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3'-hydroxy,4'-methoxyisoflavonoids. These are isoflavonoids carrying a methoxy group attached to the C4' atom, as well as a hydroxyl group at the C3'-position of the isoflavonoid backbone.
External Descriptors
LIPIDMAPS (LMPK12080064) : Isoflavans