Compound Identification
SMILES
CCOC(=O)C1(CC2=C(OC1=O)C=CC(F)=C2)C1=CC(O)=C(O)C(OC)=C1
InChIKey
InChIKey=SXACLHICCSARNS-UHFFFAOYSA-N
Formula
C19H17FO7
Mass
376.336
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-arylcoumarin flavonoids Hydroxyisoflavonoids Isoflavans 3,4-dihydrocoumarins 1-benzopyrans Methoxyphenols Phenoxy compounds Methoxybenzenes Anisoles Catechols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Aryl fluorides Dicarboxylic acids and derivatives Lactones Carboxylic acid esters Oxacyclic compounds Carbonyl compounds Organic oxides Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3p-methoxyisoflavonoid-skeleton - 3-arylcoumarin flavonoid - Hydroxyisoflavonoid - Isoflavan - 3,4-dihydrocoumarin - Chromane - Benzopyran - Methoxyphenol - 1-benzopyran - Methoxybenzene - Phenoxy compound - Anisole - Phenol ether - Catechol - 1-hydroxy-4-unsubstituted benzenoid - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Dicarboxylic acid or derivatives - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Ether - Organooxygen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organofluoride - Organohalogen 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