Compound Identification
SMILES
CCCCCN1C=NC2=CC=CC3=C2C1=C1CN2C(=CC4=C(COC(=O)[C@@]4(CC)OC(=O)CC[C@H](NC(=O)[C@@H](N)CCCCN)C(O)=O)C2=O)C1=N3
InChIKey
InChIKey=DKLPEWNIXJCAIA-QZDQGYFBSA-N
Formula
C37H45N7O8
Mass
715.808
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 N-acyl-L-alpha-amino acids Alpha amino acid amides Quinolines and derivatives Quinazolines Pyridopyrimidines Pyranopyridines Tricarboxylic acids and derivatives Pyridinones Fatty acid esters Pyrimidines and pyrimidine derivatives Benzenoids N-acyl amines Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Carboxylic acid esters Lactones Lactams Carboxylic acids Azacyclic compounds Oxacyclic compounds Organic oxides Monoalkylamines Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Camptothecin - Alpha-dipeptide - Alpha peptide - Glutamic acid or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - N-acyl-l-alpha-amino acid - Alpha-amino acid amide - Diazanaphthalene - Alpha-amino acid or derivatives - Pyranopyridine - Pyridopyrimidine - Quinazoline - Quinoline - Tricarboxylic acid or derivatives - Fatty acid ester - Pyridinone - Fatty amide - Fatty acyl - Pyrimidine - N-acyl-amine - Benzenoid - Pyridine - Heteroaromatic compound - Lactam - Lactone - Carboxylic acid ester - Amino acid - Carboxamide group - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Azacycle - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Primary aliphatic amine - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Organic oxide - Organooxygen compound - Amine - Primary amine - 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