Compound Identification
SMILES
COC1=CC=C(C=C1)C1=C(OCCCN2C(=O)C3=CC=CC=C3C2=O)C(=O)C2=CC(Cl)=CC(Br)=C2O1
InChIKey
InChIKey=YJJCSJASPUCEDN-UHFFFAOYSA-N
Formula
C27H19BrClNO6
Mass
568.8
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Flavonoids
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Subclass
O-methylated flavonoids
- Level 5 4'-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
4'-O-methylated flavonoids
Alternative Parents
Flavones Chromones Phthalimides Isoindoles Anisoles Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Pyranones and derivatives N-substituted carboxylic acid imides Aryl bromides Aryl chlorides Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Organobromides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4p-methoxyflavonoid-skeleton - Flavone - Phthalimide - Chromone - Isoindolone - Benzopyran - 1-benzopyran - Isoindole or derivatives - Isoindole - Isoindoline - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Pyranone - Pyran - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Carboxylic acid imide, n-substituted - Aryl bromide - Heteroaromatic compound - Carboxylic acid imide - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Oxacycle - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 4'-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C4' atom of the flavonoid backbone.
External Descriptors
Not available