Compound Identification
SMILES
COC1=CC=C(C=C1)C1=C(CBr)OC2=C(C=CC(OC)=C2)C1=O
InChIKey
InChIKey=CBBQKRNCNLOWQM-UHFFFAOYSA-N
Formula
C18H15BrO4
Mass
375.218
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
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Level 5
7-O-methylated isoflavonoids
- Level 6 7-O-methylisoflavones
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Level 5
7-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
7-O-methylated isoflavonoids
Direct Parent
7-O-methylisoflavones
Alternative Parents
4'-O-methylisoflavones Isoflavones Chromones Phenoxy compounds Methoxybenzenes Anisoles Pyranones and derivatives Alkyl aryl ethers Heteroaromatic compounds Oxacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4p-o-methylisoflavone - 7-o-methylisoflavone - Isoflavone - Chromone - Benzopyran - 1-benzopyran - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Pyranone - Monocyclic benzene moiety - Benzenoid - Pyran - Heteroaromatic compound - Ether - Organoheterocyclic compound - Oxacycle - Organohalogen compound - Organic oxide - Organic oxygen compound - Alkyl halide - Alkyl bromide - Organobromide - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 7-o-methylisoflavones. These are isoflavones with methoxy groups attached to the C7 atom of the isoflavone backbone.
External Descriptors
Not available