Compound Identification
SMILES
COC1=C(C=C(C=C1)[C@H]1OC2=CC=CC=C2[C@@H](O)[C@]1(Cl)[N+]([O-])=O)[N+]([O-])=O
InChIKey
InChIKey=CCJLBZDOOYPSCJ-OAGGEKHMSA-N
Formula
C16H13ClN2O7
Mass
380.74
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
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
-
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 Nitrophenyl ethers 1-benzopyrans Methoxyanilines Phenoxy compounds Anisoles Methoxybenzenes Nitroaromatic compounds Alkyl aryl ethers Secondary alcohols Chlorohydrins Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Organic salts Organic zwitterions Hydrocarbon derivatives Organochlorides Organonitrogen compounds Alkyl chlorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4p-methoxyflavonoid-skeleton - 4-hydroxyflavonoid - Hydroxyflavonoid - Flavan-4-ol - Flavan - Nitrophenyl ether - Chromane - Benzopyran - 1-benzopyran - Nitrobenzene - Methoxyaniline - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Halohydrin - Chlorohydrin - Secondary alcohol - Organic nitro compound - C-nitro compound - 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 - Organochloride - Organohalogen compound - Hydrocarbon derivative - 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