Compound Identification
SMILES
COC1=CC=CC(=C1)[C@@H]1OC2=C(C=C(Br)C=C2)C(=O)[C@H]1OC(=O)NS(=O)(=O)C1=CC=C(F)C=C1
InChIKey
InChIKey=BRBPPXYXMQXZDA-FCHUYYIVSA-N
Formula
C23H17BrFNO7S
Mass
550.35
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
Flavanonols Chromones Benzenesulfonamides Benzenesulfonyl compounds Phenoxy compounds Anisoles Aryl alkyl ketones Methoxybenzenes Alkyl aryl ethers Fluorobenzenes Aryl bromides Aryl fluorides Aminosulfonyl compounds Organosulfonic acids and derivatives Oxacyclic compounds Organobromides Organofluorides Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3p-methoxyflavonoid-skeleton - Flavanone - Flavanonol - Flavan - Chromone - Benzopyran - Chromane - Benzenesulfonamide - 1-benzopyran - Benzenesulfonyl group - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Aryl bromide - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Ketone - Ether - Organoheterocyclic compound - Oxacycle - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organobromide - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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