Compound Identification
SMILES
CC[C@@]1(OC(=O)CNC(=O)C2=CC(C)(C)N([O-])C2(C)C)C(=O)OCC2=C1C=C1N(CC3=CC4=CC=CC=C4N=C13)C2=O
InChIKey
InChIKey=GAUPTLHIBNSYDF-HKBQPEDESA-N
Formula
C31H31N4O7
Mass
571.611
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
Alpha amino acid esters N-acyl-alpha amino acids and derivatives Quinolines and derivatives Pyranopyridines Pyrroline carboxylic acids and derivatives Pyridinones Dicarboxylic acids and derivatives Benzenoids Heteroaromatic compounds Secondary carboxylic acid amides Lactones Lactams Carboxylic acid esters Azacyclic compounds Oxacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Camptothecin - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Pyranopyridine - Quinoline - Pyrroline carboxylic acid or derivatives - Pyridinone - Dicarboxylic acid or derivatives - Pyridine - Benzenoid - Heteroaromatic compound - Pyrroline - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Lactam - Lactone - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Azacycle - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Organic anion - 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