Compound Identification
SMILES
COC1=CC=CC(=C1)[C@@H]1OC2=C(C[C@H]1OC(=O)NC1=CC(Br)=C(C)C=C1)C=C(Br)C=C2
InChIKey
InChIKey=OZTDGAWFWJZZRA-PKTZIBPZSA-N
Formula
C24H21Br2NO4
Mass
547.243
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 Phenylcarbamic acid esters 1-benzopyrans Phenoxy compounds Anisoles Methoxybenzenes Toluenes Alkyl aryl ethers Bromobenzenes Aryl bromides Carbamate esters Oxacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3p-methoxyflavonoid-skeleton - Flavan-3-ol - Flavan - Phenylcarbamic acid ester - Benzopyran - Chromane - 1-benzopyran - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Toluene - Alkyl aryl ether - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Benzenoid - Monocyclic benzene moiety - Carbamic acid ester - Oxacycle - Organoheterocyclic compound - Ether - Organobromide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - 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