Compound Identification
SMILES
CCN(CC)C(=O)CC(=O)OP(=O)(O[C@]1(CC)C(=O)OCC2=C1C=C1N(CC3=CC4=CC=CC=C4N=C13)C2=O)N(CC)CC
InChIKey
InChIKey=HUNGVCKMCBHVTE-RQPUMPGKSA-N
Formula
C31H37N4O8P
Mass
624.631
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
Pyranopyridines Quinolines and derivatives Pyridinones 1,3-dicarbonyl compounds Benzenoids Dicarboxylic acids and derivatives Organic phosphoramides Phosphate esters Heteroaromatic compounds Tertiary carboxylic acid amides Lactones Lactams Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Camptothecin - Pyranopyridine - Quinoline - Pyridinone - Dicarboxylic acid or derivatives - Organic phosphoric acid derivative - Phosphoric acid ester - Pyridine - Organic phosphoric acid amide - Benzenoid - 1,3-dicarbonyl compound - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Lactam - Lactone - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen 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