Compound Identification
SMILES
COC1=CC=CC(=C1)[C@@H]1OC2=C(C[C@H]1OC(=O)NS(=O)(=O)C1=CC=C(F)C=C1)C=C(Br)C=C2
InChIKey
InChIKey=RSLLPCOVZXBBOB-YADHBBJMSA-N
Formula
C23H19BrFNO6S
Mass
536.37
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 1-benzopyrans Benzenesulfonamides Benzenesulfonyl compounds Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Fluorobenzenes Aryl bromides Aryl fluorides Organosulfonic acids and derivatives Aminosulfonyl compounds Oxacyclic compounds Carbonyl compounds Organobromides Organofluorides Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3p-methoxyflavonoid-skeleton - Flavan-3-ol - Flavan - Benzenesulfonamide - Chromane - Benzopyran - 1-benzopyran - Benzenesulfonyl group - Methoxybenzene - Phenol ether - Anisole - Phenoxy compound - Alkyl aryl ether - Fluorobenzene - Halobenzene - Benzenoid - Aryl bromide - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Ether - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organofluoride - Organohalogen compound - Organobromide - 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