Structure Information
Structure

Compound Identification

SMILES

CC[C@@]1(OC(=O)CNC(=O)C2=CC(C)(C)[NH+]([O-])C2(C)C)C(=O)OCC2=C1C=C1N(CC3=CC4=CC=CC=C4N=C13)C2=O

InChIKey

InChIKey=RXBBFGZPBTXBIC-HKBQPEDESA-N

Formula

C31H32N4O7

Mass

572.618

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Alkaloids and derivatives

Class

Camptothecins

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Camptothecins

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Camptothecin - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Pyranopyridine - Quinoline - Pyrroline carboxylic acid or derivatives - Pyridinone - Dicarboxylic acid or derivatives - Pyridine - Benzenoid - Heteroaromatic compound - Pyrroline - Carboxamide group - Carboxylic acid ester - Lactam - Lactone - Disubstituted n-oxide - Secondary carboxylic acid amide - Oxacycle - N-oxide - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organic salt - Organic zwitterion - Organic oxide - Carbonyl group - 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

Previous Back Next