Compound Identification
SMILES
COC1=CC=CC2=C1C1=C(C(Br)=CC=C1)C(NS(C)(=O)=O)(O2)C1=CC(=CC=C1)C(F)(F)F
InChIKey
InChIKey=KOVPZVYPFDJRQS-UHFFFAOYSA-N
Formula
C22H17BrF3NO4S
Mass
528.34
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Flavonoids
-
Subclass
O-methylated flavonoids
- Level 5 5-O-methylated flavonoids
-
Subclass
O-methylated flavonoids
-
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 Trifluoromethylbenzenes 2-benzopyrans Anisoles Alkyl aryl ethers Organosulfonamides Organic sulfonamides Aryl bromides Aminosulfonyl compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides Organofluorides Alkyl fluorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
5-methoxyflavonoid-skeleton - Dibenzopyran - Trifluoromethylbenzene - Benzopyran - 1-benzopyran - 2-benzopyran - Anisole - Alkyl aryl ether - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Organic sulfonic acid amide - Organosulfonic acid amide - Benzenoid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Organoheterocyclic compound - Oxacycle - Ether - Alkyl halide - Organobromide - Organohalogen compound - Organofluoride - Hydrocarbon derivative - Organic oxide - Alkyl fluoride - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Organonitrogen compound - 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