Compound Identification
SMILES
COC1=CC=C(C=C1)[C@H]1OC2=CC=CC=C2[C@@H](O)[C@]1(Cl)[N+]([O-])=O
InChIKey
InChIKey=DXIKOKQPHDNMFZ-OAGGEKHMSA-N
Formula
C16H14ClNO5
Mass
335.74
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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Class
Flavonoids
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Subclass
O-methylated flavonoids
- Level 5 4'-O-methylated flavonoids
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Subclass
O-methylated flavonoids
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Class
Flavonoids
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Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Flavonoids
Subclass
O-methylated flavonoids
Intermediate Tree Nodes
Not available
Direct Parent
4'-O-methylated flavonoids
Alternative Parents
4-hydroxyflavonoids Flavan-4-ols 1-benzopyrans Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Secondary alcohols C-nitro compounds Chlorohydrins Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Alkyl chlorides Organic zwitterions Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4p-methoxyflavonoid-skeleton - Hydroxyflavonoid - 4-hydroxyflavonoid - Flavan-4-ol - Flavan - 1-benzopyran - Benzopyran - Chromane - Phenoxy compound - Phenol ether - Anisole - Methoxybenzene - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - C-nitro compound - Halohydrin - Chlorohydrin - Organic nitro compound - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Ether - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Alkyl chloride - Organic oxide - Alcohol - Organic salt - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Hydrocarbon derivative - Organochloride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 4'-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C4' atom of the flavonoid backbone.
External Descriptors
Not available