Compound Identification
SMILES
CCC1(O)C(=O)OCC2=C1C=C1N(CC3=C1N=C1C=C(C=CC1=C3)C(O)=O)C2=O
InChIKey
InChIKey=PBJNDOBXKLCFOW-UHFFFAOYSA-N
Formula
C21H16N2O6
Mass
392.367
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class Camptothecins
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Camptothecins
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Camptothecins
Alternative Parents
Quinoline carboxylic acids Pyranopyridines Pyridinones Benzenoids Dicarboxylic acids and derivatives Tertiary alcohols Heteroaromatic compounds Carboxylic acid esters Lactones Lactams Azacyclic compounds Oxacyclic compounds Carboxylic acids Carbonyl compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Camptothecin - Quinoline-7-carboxylic acid - Pyranopyridine - Quinoline - Pyridinone - Dicarboxylic acid or derivatives - Pyridine - Benzenoid - Heteroaromatic compound - Tertiary alcohol - Carboxylic acid ester - Lactam - Lactone - Organoheterocyclic compound - Oxacycle - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Alcohol - Organic oxygen compound - Organopnictogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as camptothecins. These are heterocyclic compounds comprising a planar pentacyclic ring structure, that includes a pyrrolo[3,4-beta]-quinoline moiety (rings A, B and C), conjugated pyridone moiety (ring D) and one chiral center at position 20 within the alpha-hydroxy lactone ring with (S) configuration (the E-ring).
External Descriptors
Not available