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)CC4=CC=CC=C4)C(O)=O)C2=O)C1=N3
InChIKey
InChIKey=LVOLUFBCKMJJSM-LKVULEDUSA-N
Formula
C40H42N6O8
Mass
734.81
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 Phenylalanine and derivatives Glutamic acid and derivatives N-acyl-alpha amino acids Alpha amino acid amides Quinolines and derivatives Quinazolines Pyridopyrimidines Pyranopyridines Amphetamines and derivatives Tricarboxylic acids and derivatives Pyridinones Aralkylamines Fatty acid esters Pyrimidines and pyrimidine derivatives Fatty amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Carboxylic acid esters Lactones Lactams Oxacyclic compounds Carboxylic acids Azacyclic compounds Carbonyl compounds Monoalkylamines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Camptothecin - Alpha peptide - Alpha-dipeptide - Phenylalanine or derivatives - Glutamic acid or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Alpha-amino acid amide - Quinazoline - Quinoline - Diazanaphthalene - Pyranopyridine - Pyridopyrimidine - Alpha-amino acid or derivatives - Amphetamine or derivatives - Tricarboxylic acid or derivatives - Fatty acid ester - Aralkylamine - Pyridinone - Monocyclic benzene moiety - Fatty amide - Fatty acyl - Pyridine - Benzenoid - Pyrimidine - Heteroaromatic compound - Secondary carboxylic acid amide - Amino acid or derivatives - Amino acid - Carboxamide group - Carboxylic acid ester - Lactam - Lactone - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Oxacycle - Carboxylic acid - Organic oxide - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Amine - Primary amine - Hydrocarbon derivative - Organic oxygen compound - Primary aliphatic 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