Compound Identification
SMILES
COC1=C(O)C=C(C=C1)C1=C(O)C(=O)C2=C(O1)C(OC(C)=O)=C(OC)C=C2O
InChIKey
InChIKey=CJTMOVDQHLCWIJ-UHFFFAOYSA-N
Formula
C19H16O9
Mass
388.328
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Flavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Flavonoids
Subclass
Flavones
Intermediate Tree Nodes
Not available
Direct Parent
Flavonols
Alternative Parents
4'-O-methylated flavonoids 7-O-methylated flavonoids 3'-hydroxyflavonoids 3-hydroxyflavonoids 5-hydroxyflavonoids Chromones Methoxyphenols Methoxybenzenes Anisoles Phenoxy compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Pyranones and derivatives 1-hydroxy-4-unsubstituted benzenoids Heteroaromatic compounds Vinylogous acids Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-hydroxyflavone - 4p-methoxyflavonoid-skeleton - 7-methoxyflavonoid-skeleton - Hydroxyflavonoid - 3'-hydroxyflavonoid - 3-hydroxyflavonoid - 5-hydroxyflavonoid - Chromone - Benzopyran - Methoxyphenol - 1-benzopyran - Phenoxy compound - Phenol ether - Anisole - Methoxybenzene - Pyranone - Phenol - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Benzenoid - Pyran - Monocyclic benzene moiety - Vinylogous acid - Heteroaromatic compound - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as flavonols. These are compounds that contain a flavone (2-phenyl-1-benzopyran-4-one) backbone carrying a hydroxyl group at the 3-position.
External Descriptors
LIPIDMAPS (LMPK12113257) : Flavones and Flavonols