Compound Identification
SMILES
COC1=CC=CC2=C1C1=C(C(O2)C2=CC=CC=C2)C(Br)=C(NS(C)(=O)=O)C=C1
InChIKey
InChIKey=AWPVKERKWQLOEG-UHFFFAOYSA-N
Formula
C21H18BrNO4S
Mass
460.34
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Flavonoids
-
Subclass
O-methylated flavonoids
- Level 5 5-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
5-O-methylated flavonoids
Alternative Parents
Dibenzopyrans Sulfanilides 2-benzopyrans Anisoles Alkyl aryl ethers Organosulfonamides Organic sulfonamides Aryl bromides Aminosulfonyl compounds Oxacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
5-methoxyflavonoid-skeleton - Dibenzopyran - Benzopyran - Sulfanilide - 1-benzopyran - 2-benzopyran - Anisole - Phenol ether - Alkyl aryl ether - Benzenoid - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Organosulfonic acid amide - Organic sulfonic acid amide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Ether - Oxacycle - Organoheterocyclic compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 5-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C5 atom of the flavonoid backbone.
External Descriptors
Not available