Compound Identification
SMILES
CC1O[C@@H](OC2=CC(O)=C3C(OC(C4=CC(O)=C(O)C=C4)=C(O[C@@H]4OC(COC(=O)\C=C\C5=CC(O)=C(O)C=C5)[C@@H](O)[C@H](O)C4O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)C3=O)=C2)[C@@H](O)C(O)[C@H]1O
InChIKey
InChIKey=BNYDLXBTNLOWPZ-QNOTZJNTSA-N
Formula
C42H46O24
Mass
934.806
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Flavonoids
-
Subclass
Flavonoid glycosides
- Level 5 Flavonoid O-glycosides
-
Subclass
Flavonoid glycosides
-
Class
Flavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Flavonoids
Subclass
Flavonoid glycosides
Intermediate Tree Nodes
Flavonoid O-glycosides
Direct Parent
Flavonoid 3-O-p-coumaroyl glycosides
Alternative Parents
Flavonoid-3-O-glycosides Flavonoid-7-O-glycosides 3'-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids Flavones Phenolic glycosides Cinnamic acid esters Coumaric acids and derivatives Chromones Disaccharides O-glycosyl compounds Styrenes Catechols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Pyranones and derivatives Fatty acid esters Oxanes Heteroaromatic compounds Vinylogous acids Enoate esters Secondary alcohols Oxacyclic compounds Acetals Monocarboxylic acids and derivatives Polyols Organic oxides Carbonyl compounds Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavonoid 3-o-6-p-coumaroyl-glycoside - Flavonoid-3-o-glycoside - Flavonoid-7-o-glycoside - 3'-hydroxyflavonoid - 4'-hydroxyflavonoid - Hydroxyflavonoid - 5-hydroxyflavonoid - Flavone - Phenolic glycoside - Coumaric acid or derivatives - Cinnamic acid ester - Hydroxycinnamic acid or derivatives - Cinnamic acid or derivatives - Disaccharide - O-glycosyl compound - Glycosyl compound - Chromone - 1-benzopyran - Benzopyran - Styrene - Catechol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Fatty acid ester - Phenol - Pyranone - Pyran - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Oxane - Alpha,beta-unsaturated carboxylic ester - Vinylogous acid - Enoate ester - Heteroaromatic compound - Secondary alcohol - Carboxylic acid ester - Acetal - Polyol - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Organic oxide - Alcohol - Carbonyl group - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as flavonoid 3-o-p-coumaroyl glycosides. These are flavonoid 3-O-glycosides where the carbohydrate moiety is esterified with a p-coumaric acid. P-coumaric acid is an organic derivative of cinnamic acid, that carries a hydroxyl group at the 4-position of the benzene ring.
External Descriptors
LIPIDMAPS (LMPK12112269) : Flavones and Flavonols