Compound Identification
SMILES
CCC1(OC(=O)C(N)CCC(O)=O)C(=O)OCC2=C1C=C1N(CC3=CC4=CC=CC=C4N=C13)C2=O
InChIKey
InChIKey=UISWBKFSNGHIFL-UHFFFAOYSA-N
Formula
C25H23N3O7
Mass
477.473
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
Glutamic acid and derivatives Alpha amino acid esters Quinolines and derivatives Pyranopyridines Tricarboxylic acids and derivatives Pyridinones Fatty acid esters Amino fatty acids Benzenoids Heteroaromatic compounds Carboxylic acid esters Amino acids Lactones Lactams Carboxylic acids Oxacyclic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Camptothecin - Glutamic acid or derivatives - Alpha-amino acid ester - Alpha-amino acid or derivatives - Pyranopyridine - Quinoline - Tricarboxylic acid or derivatives - Amino fatty acid - Fatty acid ester - Pyridinone - Pyridine - Fatty acyl - Benzenoid - Heteroaromatic compound - Amino acid or derivatives - Carboxylic acid ester - Amino acid - Lactam - Lactone - Organoheterocyclic compound - Azacycle - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Organooxygen compound - Amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Carbonyl group - Organic oxide - Primary amine - Hydrocarbon derivative - Primary aliphatic amine - Organonitrogen 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