Compound Identification
SMILES
OC[C@H]1O[C@@H](OC2=CC=CC3=C2C(=O)C2=C(C=C(C=C2O)C(O)=O)[C@@H]3[C@@H]2C3=C(C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=CC=C3)C(=O)C3=C2C=C(C=C3O)C(O)=O)[C@H](O)[C@@H](O)[C@@H]1O
InChIKey
InChIKey=IPQVTOJGNYVQEO-KGFNBKMBSA-N
Formula
C42H38O20
Mass
862.746
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Anthracenes
-
Subclass
Anthracenecarboxylic acids and derivatives
- Level 5 Anthracenecarboxylic acids
-
Subclass
Anthracenecarboxylic acids and derivatives
-
Class
Anthracenes
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Anthracenes
Subclass
Anthracenecarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Anthracenecarboxylic acids
Alternative Parents
Phenolic glycosides Naphthalenecarboxylic acids O-glycosyl compounds Hydroxybenzoic acid derivatives Aryl ketones 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Dicarboxylic acids and derivatives Monosaccharides Oxanes Vinylogous acids Secondary alcohols Polyols Carboxylic acids Acetals Oxacyclic compounds Hydrocarbon derivatives Primary alcohols Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracene carboxylic acid - Phenolic glycoside - 2-naphthalenecarboxylic acid - 2-naphthalenecarboxylic acid or derivatives - Glycosyl compound - O-glycosyl compound - Hydroxybenzoic acid - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Dicarboxylic acid or derivatives - Monosaccharide - Oxane - Vinylogous acid - Ketone - Secondary alcohol - Acetal - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Organoheterocyclic compound - Polyol - Organic oxide - Hydrocarbon derivative - Alcohol - Primary alcohol - Organic oxygen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as anthracenecarboxylic acids. These are organic compounds containing a carboxylic acid group attached to an anthracene ring system.
External Descriptors
CHEBI:9112 :
oxo dicarboxylic acid - sennosides
LIPIDMAPS (LMPK13040016) :
Anthracenes and phenanthrenes
KEGG (C10404) :
Polyketides - Anthracenes and phenanthrenes - Anthrone type