Compound Identification
SMILES
OC(=O)C1=NC2=C(C3=C(C=C(N3)C(=O)OC3=CC=CC=C3)C(=O)C2=O)C(=C1)C(O)=O
InChIKey
InChIKey=AVBNYBCSZVABIN-UHFFFAOYSA-N
Formula
C20H10N2O8
Mass
406.306
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Quinolines and derivatives
-
Subclass
Pyrroloquinolines
- Level 5 Pyrroloquinoline quinones
-
Subclass
Pyrroloquinolines
-
Class
Quinolines and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Quinolines and derivatives
Subclass
Pyrroloquinolines
Intermediate Tree Nodes
Not available
Direct Parent
Pyrroloquinoline quinones
Alternative Parents
Quinoline carboxylic acids Phenol esters Pyridinecarboxylic acids Indoles and derivatives Aryl ketones Pyrrole carboxylic acids and derivatives Phenoxy compounds O-quinones Substituted pyrroles Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrroloquinoline quinone - Quinoline-2-carboxylic acid - Quinoline-4-carboxylic acid - Phenol ester - Indole or derivatives - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - O-quinone - Phenoxy compound - Pyrrole-2-carboxylic acid or derivatives - Quinone - Aryl ketone - Benzenoid - Substituted pyrrole - Pyridine - Monocyclic benzene moiety - Vinylogous amide - Heteroaromatic compound - Pyrrole - Carboxylic acid ester - Ketone - Carboxylic acid - Azacycle - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrroloquinoline quinones. These are compounds with a structure based on the 2,7,-tricarboxy-1H-pyrrolo[2,3-f ]quinoline-4,5-dione. Pyrroloquinoline Quinones usually bear a carboxylic acid group at the C-2, C-7 and C-9 positions.
External Descriptors
Not available