Compound Identification
SMILES
CC[C@@]1(OC(=O)CN)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=JNGUFMPEEVFWKF-CMKUINFXSA-N
Formula
C70H93N5O24
Mass
1388.525
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 Alpha amino acid esters Macrolides and analogues Hexoses Aminoquinolines and derivatives O-glycosyl compounds Pyranopyridines Benzodioxoles Pyridinones Beta hydroxy acids and derivatives Oxanes Primary aromatic amines Benzenoids Dicarboxylic acids and derivatives Heteroaromatic compounds Secondary alcohols Amino acids Lactones Lactams Hemiacetals 1,2-aminoalcohols Carboxylic acid esters Acetals Oxacyclic compounds Azacyclic compounds Polyols Carboxylic acids Hydrocarbon derivatives Organic oxides Organopnictogen compounds Monoalkylamines Carbonyl compounds
Molecular Framework
Not available
Substituents
Camptothecin - Aminoglycoside core - Alpha-amino acid ester - Macrolide - Hexose monosaccharide - Aminoquinoline - Glycosyl compound - O-glycosyl compound - Alpha-amino acid or derivatives - Pyranopyridine - Quinoline - Benzodioxole - Amino saccharide - Beta-hydroxy acid - Pyridinone - Benzenoid - Dicarboxylic acid or derivatives - Hydroxy acid - Monosaccharide - Oxane - Primary aromatic amine - Pyridine - Heteroaromatic compound - Amino acid or derivatives - 1,2-aminoalcohol - Secondary alcohol - Carboxylic acid ester - Lactone - Lactam - Amino acid - Hemiacetal - Acetal - Polyol - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Azacycle - Organic oxide - Alcohol - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Primary amine - Primary aliphatic amine - Organonitrogen compound - Amine - Organooxygen compound - Hydrocarbon derivative - 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