Compound Identification
SMILES
COC1=C(Br)C=C(C=C1)C1CC2=C(OC1=O)C=CC(C)=C2
InChIKey
InChIKey=UUSCXPZDSUPJDG-UHFFFAOYSA-N
Formula
C17H15BrO3
Mass
347.208
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
-
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
-
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
3-arylcoumarin flavonoids Isoflavans 3,4-dihydrocoumarins 1-benzopyrans Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Bromobenzenes Aryl bromides Lactones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4p-methoxyisoflavonoid - 3-arylcoumarin flavonoid - Isoflavan - 3,4-dihydrocoumarin - Chromane - Benzopyran - 1-benzopyran - Methoxybenzene - Phenol ether - Anisole - Phenoxy compound - Alkyl aryl ether - Bromobenzene - Halobenzene - Benzenoid - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Lactone - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Ether - Carbonyl group - Organic oxide - Organic oxygen compound - Organohalogen compound - Organobromide - Organooxygen compound - Hydrocarbon derivative - 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
Not available