Compound Identification
SMILES
COC1=CC(OC)=C(C=C1)C1C(CBr)C2=CC=CC=C2OC1=O
InChIKey
InChIKey=NVYYPGLDYXIRFN-UHFFFAOYSA-N
Formula
C18H17BrO4
Mass
377.234
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 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
2'-O-methylated isoflavonoids 3-arylcoumarin flavonoids Isoflavans 3,4-dihydrocoumarins 1-benzopyrans Dimethoxybenzenes Phenoxy compounds Anisoles Alkyl aryl ethers Carboxylic acid esters Lactones Oxacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Alkyl bromides Organic oxides Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2p-methoxyisoflavonoid-skeleton - 4p-methoxyisoflavonoid - 3-arylcoumarin flavonoid - Isoflavan - 3,4-dihydrocoumarin - Benzopyran - Chromane - M-dimethoxybenzene - Dimethoxybenzene - 1-benzopyran - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Lactone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Organobromide - Organooxygen compound - Organic oxide - Alkyl halide - Organohalogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Alkyl bromide - 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