Compound Identification
SMILES
CC[C@@]1(OC(=O)C(NC(=O)C(CC2=CN=CN2)NC(=O)NC2=CC=CC=C2)C(C)C)C(=O)OCC2=C1C=C1N(CC3=CC4=CC=CC=C4N=C13)C2=O
InChIKey
InChIKey=ZBBYRAHULFFDHI-DGZUKHSISA-N
Formula
C38H37N7O7
Mass
703.756
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
Depsipeptides Histidine and derivatives Valine and derivatives N-carbamoyl-alpha amino acids and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid esters Alpha amino acid amides Quinolines and derivatives Pyranopyridines N-phenylureas Imidazolyl carboxylic acids and derivatives Pyridinones Fatty acid esters Fatty amides Dicarboxylic acids and derivatives Heteroaromatic compounds Ureas Secondary carboxylic acid amides Lactones Lactams Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Camptothecin - Depsipeptide - Histidine or derivatives - Valine or derivatives - N-carbamoyl-alpha-amino acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid ester - Alpha-amino acid amide - Quinoline - Pyranopyridine - N-phenylurea - Alpha-amino acid or derivatives - N-substituted-alpha-amino acid - Imidazolyl carboxylic acid derivative - Pyridinone - Fatty acid ester - Fatty acyl - Benzenoid - Pyridine - Fatty amide - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Heteroaromatic compound - Imidazole - Azole - Urea - Secondary carboxylic acid amide - Carbonic acid derivative - Lactone - Lactam - Carboxylic acid ester - Carboxamide group - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - 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