Compound Identification
SMILES
CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=C1N=C1C=C4OCOC4=C(N)C1=C3)C2=O.C[C@H]1O[C@@H](O[C@@H]2C[C@@H]3O[C@@](O)(C[C@H](O)[C@H]3C(O)=O)C[C@@H](O)C[C@@H](O)CC[C@H](O)[C@@H](O)C[C@@H](O)CC(=O)O[C@@H](C)[C@@H](C)[C@H](O)[C@@H](C)\C=C\C=C\C=C\C=C\C=C\C=C\C=C\2)[C@@H](O)[C@@H](N)[C@@H]1O
InChIKey
InChIKey=JRAWGZOTAHRETB-HADIGHMASA-N
Formula
C68H90N4O23
Mass
1331.473
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
Aminoglycosides Macrolides and analogues Hexoses O-glycosyl compounds Aminoquinolines and derivatives Pyranopyridines Benzodioxoles Pyridinones Beta hydroxy acids and derivatives Oxanes Primary aromatic amines Dicarboxylic acids and derivatives Benzenoids Heteroaromatic compounds Tertiary alcohols Secondary alcohols Amino acids 1,2-aminoalcohols Hemiacetals Carboxylic acid esters Lactams Lactones Polyols Acetals Oxacyclic compounds Azacyclic compounds Carboxylic acids Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework
Not available
Substituents
Camptothecin - Aminoglycoside core - Macrolide - Hexose monosaccharide - Aminoquinoline - Glycosyl compound - O-glycosyl compound - Pyranopyridine - Quinoline - Benzodioxole - Beta-hydroxy acid - Pyridinone - Amino saccharide - Oxane - Hydroxy acid - Primary aromatic amine - Pyridine - Monosaccharide - Dicarboxylic acid or derivatives - Benzenoid - Heteroaromatic compound - Tertiary alcohol - Amino acid or derivatives - Amino acid - Secondary alcohol - Carboxylic acid ester - 1,2-aminoalcohol - Hemiacetal - Lactone - Lactam - Polyol - Carboxylic acid derivative - Acetal - Carboxylic acid - Organoheterocyclic compound - Oxacycle - Azacycle - Primary amine - Carbonyl group - Organonitrogen compound - Organic oxide - Organopnictogen compound - Alcohol - Amine - Hydrocarbon derivative - Primary aliphatic amine - Organooxygen compound - Organic nitrogen compound - Organic oxygen 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