Compound Identification
SMILES
COC1=C(OC2=C(C(O)=CC(O)=C2OC(=O)C(\C)=C\C)C1=O)C1=CC=CC=C1
InChIKey
InChIKey=RRKFFDGUNSJFHI-NYYWCZLTSA-N
Formula
C21H18O7
Mass
382.368
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
5-hydroxyflavonoids 7-hydroxyflavonoids Flavones 3-methoxychromones Phenol esters 1-hydroxy-2-unsubstituted benzenoids Pyranones and derivatives Alkyl aryl ethers Fatty acid esters Benzene and substituted derivatives Enoate esters Vinylogous acids Heteroaromatic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-methoxyflavonoid-skeleton - Hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Flavone - 3-methoxychromone - Chromone - Phenol ester - 1-benzopyran - Benzopyran - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Pyranone - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Pyran - Benzenoid - Heteroaromatic compound - Vinylogous acid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Monocarboxylic acid or derivatives - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organooxygen 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
LIPIDMAPS (LMPK12113081) : Flavones and Flavonols