Compound Identification
SMILES
CC[C@H](C)[C@@H](NC(=O)O[C@@H]1CC2=C(O[C@H]1C1=CC(OC)=CC=C1)C=CC(Br)=C2)C(=O)OC
InChIKey
InChIKey=WDYMQMAMBLYXFB-VKPKAYIDSA-N
Formula
C24H28BrNO6
Mass
506.393
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 Isoleucine and derivatives Alpha amino acid esters 1-benzopyrans Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Fatty acid esters Aryl bromides Methyl esters Carbamate esters Oxacyclic compounds Monocarboxylic acids and derivatives Organonitrogen compounds Organic oxides Organobromides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3p-methoxyflavonoid-skeleton - Flavan-3-ol - Flavan - Isoleucine or derivatives - Alpha-amino acid ester - Alpha-amino acid or derivatives - Benzopyran - Chromane - 1-benzopyran - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Fatty acid ester - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Aryl bromide - Carbamic acid ester - Methyl ester - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Organobromide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organohalogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic nitrogen 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