Compound Identification
SMILES
CC[C@@]1(OC(=O)N(C)CCN(C)C(=O)OCC2=C(C)N(C)C3=C2C(=O)C(OC)=CC3=O)C(=O)OCC2=C1C=C1N(CC3=CC4=CC=CC=C4N=C13)C2=O
InChIKey
InChIKey=FCMWHMGLJUAZEN-LHEWISCISA-N
Formula
C38H37N5O10
Mass
723.739
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 Indoles and derivatives Aryl ketones Pyridinones Benzenoids N-methylpyrroles Vinylogous esters Vinylogous amides Carbamate esters Heteroaromatic compounds Lactams Carboxylic acid esters Lactones Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Camptothecin - Pyranopyridine - Quinoline - Indole or derivatives - Aryl ketone - Pyridinone - N-methylpyrrole - Pyridine - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Vinylogous ester - Vinylogous amide - Carbamic acid ester - Carboxylic acid ester - Ketone - Lactam - Lactone - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - 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