Compound Identification
SMILES
CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=C1NC1=CC(=O)C=C(N=C(N)C4=CC=CC=C4)C1=C3)C2=O
InChIKey
InChIKey=OFCNBSMEEQVWCJ-MHZLTWQESA-N
Formula
C27H22N4O5
Mass
482.496
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
Quinolines and derivatives Pyranopyridines Pyridinones Benzene and substituted derivatives Vinylogous amides Tertiary alcohols Heteroaromatic compounds Carboxylic acid esters Cyclic ketones Lactams Lactones Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Carboxamidines Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Camptothecin - Pyranopyridine - Quinoline - Pyridinone - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Tertiary alcohol - Vinylogous amide - Carboxylic acid ester - Lactam - Lactone - Cyclic ketone - Azacycle - Oxacycle - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Carboxylic acid amidine - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Amidine - Hydrocarbon derivative - Alcohol - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Organic oxide - 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