Compound Identification
SMILES
CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=C(C=NNC(=O)C(N)CC4=CC=C(O)C=C4)C4=CC=CC=C4N=C13)C2=O
InChIKey
InChIKey=VUWJXZVQQBZDNJ-POYPGSECSA-N
Formula
C30H27N5O6
Mass
553.575
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
Tyrosine and derivatives Phenylalanine and derivatives Quinolines and derivatives Pyranopyridines Amphetamines and derivatives Pyridinones 1-hydroxy-2-unsubstituted benzenoids Aralkylamines Tertiary alcohols Heteroaromatic compounds Carboxylic acid esters Lactams Lactones Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Monoalkylamines Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Camptothecin - Tyrosine or derivatives - Phenylalanine or derivatives - Pyranopyridine - Quinoline - Alpha-amino acid or derivatives - Amphetamine or derivatives - Phenol - Aralkylamine - Pyridinone - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Monocyclic benzene moiety - Pyridine - Heteroaromatic compound - Tertiary alcohol - Carboxylic acid ester - Lactam - Lactone - Amino acid or derivatives - Oxacycle - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxygen compound - Amine - Organic nitrogen compound - Carbonyl group - Alcohol - Hydrocarbon derivative - Primary amine - Primary aliphatic amine - Organic oxide - 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