Structure Information
Structure

Compound Identification

SMILES

COC(=O)CC1(O)C(=O)OCC2=C1C=C1N(CC3=C(OC)C4=CC=CC=C4N=C13)C2=O

InChIKey

InChIKey=JKMYAMJUZUUXBQ-UHFFFAOYSA-N

Formula

C22H18N2O7

Mass

422.393

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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 - Alkyl aryl ether - Pyridinone - Dicarboxylic acid or derivatives - Pyridine - Benzenoid - Methyl ester - Tertiary alcohol - Heteroaromatic compound - Carboxylic acid ester - Lactam - Lactone - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Carbonyl group - Alcohol - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen 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

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