Compound Identification
SMILES
CC[C@@]1(OC(=O)C[C@@H](NC(=O)[C@@H](N)C(C)C)C(O)=O)C(=O)OCC2=C1C=C1N(CC3=CC4=CC=CC=C4N=C13)C2=O
InChIKey
InChIKey=FXIZAIMBSWTUKR-QTZUSBOUSA-N
Formula
C29H30N4O8
Mass
562.579
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 Aspartic acid and derivatives Valine and derivatives N-acyl-alpha amino acids Alpha amino acid amides Quinolines and derivatives Pyranopyridines Tricarboxylic acids and derivatives Pyridinones Fatty acid esters Benzenoids N-acyl amines 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-dipeptide - Alpha peptide - Aspartic acid or derivatives - Valine or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Pyranopyridine - Quinoline - Tricarboxylic acid or derivatives - Fatty acid ester - Pyridinone - Fatty amide - N-acyl-amine - Pyridine - Fatty acyl - Benzenoid - Heteroaromatic compound - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Lactone - Lactam - Amino acid - Azacycle - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Primary amine - Organic nitrogen compound - Primary aliphatic amine - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Amine - Organonitrogen compound - Organooxygen 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