Compound Identification
SMILES
CC[C@@]1(OC(=O)[C@H](CC(C)C)NC(=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=KKBQJFDXTXJSIZ-CYFIQEHSSA-N
Formula
C35H39N4O7
Mass
627.718
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
Leucine and derivatives Alpha amino acid esters N-acyl-alpha amino acids and derivatives Quinolines and derivatives Pyranopyridines Pyrroline carboxylic acids and derivatives Pyridinones Fatty acid esters Benzenoids Dicarboxylic acids and derivatives Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Lactones Lactams Azacyclic compounds Oxacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Camptothecin - Leucine or derivatives - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Pyranopyridine - Quinoline - Pyrroline carboxylic acid or derivatives - Fatty acid ester - Pyridinone - Dicarboxylic acid or derivatives - Pyridine - Fatty acyl - Benzenoid - Pyrroline - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Lactone - Lactam - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic oxygen compound - 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