Compound Identification
SMILES
COC1=C2OC(C3=CC=C(Cl)C=C3)C(=CC2=CC(Br)=C1)[N+]([O-])=O
InChIKey
InChIKey=BXDMTVKECKJHAQ-UHFFFAOYSA-N
Formula
C16H11BrClNO4
Mass
396.62
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Flavonoids
-
Subclass
O-methylated flavonoids
- Level 5 8-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
8-O-methylated flavonoids
Alternative Parents
Flav-3-enes 1-benzopyrans Anisoles Alkyl aryl ethers Chlorobenzenes Aryl bromides Aryl chlorides C-nitro compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organobromides Organochlorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
8-methoxyflavonoid-skeleton - Flav-3-ene - Benzopyran - 1-benzopyran - Anisole - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Organic nitro compound - C-nitro compound - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Ether - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxide - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organohalogen compound - Organic nitrogen compound - Organobromide - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 8-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C8 atom of the flavonoid backbone.
External Descriptors
Not available