Compound Identification
SMILES
COC1=CC(OC)=C(C=C1)C1=C(CBr)C2=CC=CC=C2OC1
InChIKey
InChIKey=ILDNXCLVGBLHKP-UHFFFAOYSA-N
Formula
C18H17BrO3
Mass
361.235
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 Isoflav-3-enes Dimethoxybenzenes 1-benzopyrans Phenoxy compounds Anisoles Alkyl aryl ethers Oxacyclic compounds Organobromides Hydrocarbon derivatives Alkyl bromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2p-methoxyisoflavonoid-skeleton - 4p-methoxyisoflavonoid - Isoflav-3-ene skeleton - Benzopyran - 1-benzopyran - M-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Ether - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organohalogen compound - Organobromide - Alkyl halide - Alkyl bromide - 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