Compound Identification
SMILES
CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=C(N)C4=C(N)C=CC=C4N=C13)C2=O
InChIKey
InChIKey=LKSYPBFUJKQTDC-FQEVSTJZSA-N
Formula
C20H18N4O4
Mass
378.388
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
4-aminoquinolines Pyranopyridines Pyridinones Aminopyridines and derivatives Benzenoids Tertiary alcohols Heteroaromatic compounds Amino acids and derivatives Carboxylic acid esters Lactams Lactones Monocarboxylic acids and derivatives Oxacyclic compounds Azacyclic compounds Primary amines Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Camptothecin - Aminoquinoline - 4-aminoquinoline - Pyranopyridine - Quinoline - Pyridinone - Aminopyridine - Benzenoid - Pyridine - Heteroaromatic compound - Tertiary alcohol - Lactone - Carboxylic acid ester - Lactam - Amino acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Alcohol - Organonitrogen compound - Organooxygen compound - Primary amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - 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