Compound Identification
SMILES
COC1=C2C(OC(C3=CC=CC=C3)C3=C2C=CC(CS(N)(=O)=O)=C3)=CC(Br)=C1
InChIKey
InChIKey=NXAPOMOTCAPGSG-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 2-benzopyrans Anisoles Alkyl aryl ethers Organosulfonamides Organic sulfonamides Benzene and substituted derivatives Aryl bromides Aminosulfonyl compounds Oxacyclic compounds Organobromides Organic oxides Organic nitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
5-methoxyflavonoid-skeleton - Dibenzopyran - Benzopyran - 1-benzopyran - 2-benzopyran - Anisole - Alkyl aryl ether - Aryl bromide - Benzenoid - Aryl halide - Monocyclic benzene moiety - Organosulfonic acid amide - Organic sulfonic acid amide - Aminosulfonyl compound - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Ether - Organoheterocyclic compound - Oxacycle - 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