Structure Information
Structure

Compound Identification

SMILES

CCC1(O)C(=O)OCC2=C1C=C1N(CC3=C1N=C1C=CC(N)=C4OCCC3=C14)C2=O

InChIKey

InChIKey=WDIISTCWBKBIBM-UHFFFAOYSA-N

Formula

C22H19N3O5

Mass

405.41

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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 - Aminoquinoline - Benzopyran - 1-benzopyran - Quinoline - Pyranopyridine - Alkyl aryl ether - Pyridinone - Benzenoid - Pyridine - Heteroaromatic compound - Tertiary alcohol - Amino acid or derivatives - Lactam - Lactone - Carboxylic acid ester - Carboxylic acid derivative - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Azacycle - Oxacycle - Ether - Alcohol - Organonitrogen compound - Organooxygen compound - Carbonyl group - Primary amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Organic nitrogen compound - 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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