Compound Identification
SMILES
COC1=CC=CC(=C1)[C@@H]1OC2=C(C[C@H]1OC(=O)NS(=O)(=O)C1=CC=C(C)C=C1)C=C(Br)C=C2
InChIKey
InChIKey=XOMADMQQMPSDHH-PKTZIBPZSA-N
Formula
C24H22BrNO6S
Mass
532.41
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Flavonoids
-
Subclass
O-methylated flavonoids
- Level 5 3'-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
3'-O-methylated flavonoids
Alternative Parents
Flavan-3-ols Tosyl compounds 1-benzopyrans Benzenesulfonamides Benzenesulfonyl compounds Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Aryl bromides Organosulfonic acids and derivatives Aminosulfonyl compounds Oxacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3p-methoxyflavonoid-skeleton - Flavan-3-ol - Flavan - Benzenesulfonamide - Chromane - Benzopyran - 1-benzopyran - Tosyl compound - Benzenesulfonyl group - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Toluene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Oxacycle - Organoheterocyclic compound - Ether - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3'-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C3' atom of the flavonoid backbone.
External Descriptors
Not available