Structure Information
Structure

Compound Identification

SMILES

Cl.CCC1(O)C(=O)OCC2=C1C=C1N(CC3=C1N=C1C=C(CN)C=CC1=C3)C2=O

InChIKey

InChIKey=DMICFBMGKQDJAP-UHFFFAOYSA-N

Formula

C21H20ClN3O4

Mass

413.86

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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 - Pyridinone - Aralkylamine - Pyridine - Benzenoid - Heteroaromatic compound - Tertiary alcohol - Amino acid or derivatives - Carboxylic acid ester - Lactam - Lactone - Organoheterocyclic compound - Azacycle - Oxacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Hydrochloride - Organooxygen compound - Organonitrogen compound - Primary amine - Primary aliphatic amine - Alcohol - Amine - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organopnictogen compound - Organic oxide - 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

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