Compound Identification
SMILES
COC1=C(CN2CCOCC2)C2=C(C=C1)C(=O)C(C)=C(O2)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=APDSITWJMGPJLM-UHFFFAOYSA-N
Formula
C22H22ClNO4
Mass
399.87
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Flavonoids
-
Subclass
O-methylated flavonoids
- Level 5 7-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
7-O-methylated flavonoids
Alternative Parents
Flavones Chromones Anisoles Pyranones and derivatives Alkyl aryl ethers Aralkylamines Chlorobenzenes Morpholines Aryl chlorides Heteroaromatic compounds Trialkylamines Oxacyclic compounds Azacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organochlorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
7-methoxyflavonoid-skeleton - Flavone - Chromone - Benzopyran - 1-benzopyran - Anisole - Phenol ether - Alkyl aryl ether - Chlorobenzene - Aralkylamine - Halobenzene - Pyranone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Morpholine - Oxazinane - Benzenoid - Pyran - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Dialkyl ether - Ether - Azacycle - Organoheterocyclic compound - Organic oxide - Hydrocarbon derivative - Amine - Organonitrogen compound - Organooxygen compound - Organochloride - Organic oxygen compound - Organohalogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 7-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C7 atom of the flavonoid backbone.
External Descriptors
Not available