Compound Identification
SMILES
N[C@@H](CCC(O)=O)C(O)=O.COC1=CC(OC)=C([C@H]2CCN(C)[C@@H]2CO)C2=C1C(=O)C=C(O2)C1=CC=CC=C1Cl
InChIKey
InChIKey=RSXNDVMFWCVMQI-LXUHHBSCSA-N
Formula
C28H33ClN2O9
Mass
577.03
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
5-O-methylated flavonoids Flavones Glutamic acid and derivatives Chromones L-alpha-amino acids Anisoles Alkyl aryl ethers Pyranones and derivatives Amino fatty acids Aralkylamines Chlorobenzenes Aryl chlorides N-alkylpyrrolidines Dicarboxylic acids and derivatives Vinylogous esters Heteroaromatic compounds Trialkylamines 1,2-aminoalcohols Amino acids Carboxylic acids Azacyclic compounds Oxacyclic compounds Organic oxides Carbonyl compounds Organochlorides Primary alcohols Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
5-methoxyflavonoid-skeleton - 7-methoxyflavonoid-skeleton - Flavone - Glutamic acid or derivatives - Chromone - Benzopyran - 1-benzopyran - Alpha-amino acid or derivatives - Alpha-amino acid - L-alpha-amino acid - Phenol ether - Anisole - Alkyl aryl ether - Chlorobenzene - Aralkylamine - Halobenzene - Amino fatty acid - Pyranone - Fatty acyl - Fatty acid - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Benzenoid - N-alkylpyrrolidine - Pyran - Vinylogous ester - Heteroaromatic compound - Pyrrolidine - Amino acid or derivatives - Amino acid - 1,2-aminoalcohol - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Organochloride - Organonitrogen compound - Organooxygen compound - Primary alcohol - Primary amine - Organic oxide - Amine - Organic oxygen compound - Organohalogen compound - Carbonyl group - Alcohol - Hydrocarbon derivative - Primary aliphatic amine - 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