Compound Identification
SMILES
CCCNCC(=O)O[C@]1(CC)C(=O)OCC2=C1C=C1N(CC3=CC4=CC=CC=C4N=C13)C2=O
InChIKey
InChIKey=WSYVQVSIRSEFSJ-VWLOTQADSA-N
Formula
C25H25N3O5
Mass
447.491
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 Quinolines and derivatives Pyranopyridines Pyridinones Benzenoids Dicarboxylic acids and derivatives Heteroaromatic compounds Lactones Lactams Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Dialkylamines Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Camptothecin - Alpha-amino acid ester - Alpha-amino acid or derivatives - Quinoline - Pyranopyridine - Pyridinone - Dicarboxylic acid or derivatives - Benzenoid - Pyridine - Heteroaromatic compound - Amino acid or derivatives - Carboxylic acid ester - Lactam - Lactone - Carboxylic acid derivative - Oxacycle - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Secondary amine - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Amine - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen 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