Structure Information
Structure

Compound Identification

SMILES

CC[C@@]1([O-])C(=O)OCC2=C1C=C1N(CC3=C1N=C1C=CC(OCCC[N+]4=CC=CC(=C4)C(C)=O)=CC1=C3)C2=O

InChIKey

InChIKey=OMHXYIWBLRQVCX-PMERELPUSA-N

Formula

C30H27N3O6

Mass

525.561

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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 - Pyranopyridine - Quinoline - Phenol ether - Aryl ketone - Aryl alkyl ketone - Alkyl aryl ether - Pyridinone - Pyridine - Pyridinium - Benzenoid - Heteroaromatic compound - Vinylogous amide - Carboxylic acid ester - Ketone - Lactam - Lactone - Carboxylic acid derivative - Ether - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Oxacycle - Organic salt - Carbonyl group - Organic oxygen compound - Alkoxide - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic zwitterion - 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

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