Compound Identification
SMILES
Cl.CCCCCN1C=NC2=CC=CC3=C2C1=C1CN2C(=CC4=C(COC(=O)[C@@]4(CC)OC(=O)CC[C@H](NC(=O)[C@@H](N)CC(C)C)C(O)=O)C2=O)C1=N3
InChIKey
InChIKey=KWOKCNBOTYJTBQ-BDRFLBEMSA-N
Formula
C37H45ClN6O8
Mass
737.25
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
Dipeptides Glutamic acid and derivatives Leucine and derivatives N-acyl-L-alpha-amino acids Alpha amino acid amides Quinolines and derivatives Quinazolines Pyranopyridines Pyridopyrimidines Tricarboxylic acids and derivatives Pyridinones Fatty acid esters Benzenoids Pyrimidines and pyrimidine derivatives N-acyl amines Heteroaromatic compounds Carboxylic acid esters Secondary carboxylic acid amides Amino acids Lactones Lactams Carboxylic acids Azacyclic compounds Oxacyclic compounds Monoalkylamines Organic oxides Carbonyl compounds Hydrocarbon derivatives Hydrochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Camptothecin - Alpha-dipeptide - Alpha peptide - Glutamic acid or derivatives - Leucine or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-l-alpha-amino acid - N-acyl-alpha-amino acid - Alpha-amino acid amide - Quinoline - Pyranopyridine - Pyridopyrimidine - Quinazoline - Alpha-amino acid or derivatives - Tricarboxylic acid or derivatives - Pyridinone - Fatty acid ester - Fatty amide - N-acyl-amine - Pyridine - Fatty acyl - Pyrimidine - Benzenoid - Heteroaromatic compound - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Lactone - Lactam - Amino acid - Azacycle - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Amine - Organic nitrogen compound - Primary aliphatic amine - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Hydrochloride - Organooxygen compound - Primary amine - Organic oxide - 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