Structure Information
Structure

Compound Identification

SMILES

CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=C1NC1=CC(=O)C=C(N=C(N)C4=CC=CC=C4)C1=C3)C2=O

InChIKey

InChIKey=OFCNBSMEEQVWCJ-MHZLTWQESA-N

Formula

C27H22N4O5

Mass

482.496

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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 - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Tertiary alcohol - Vinylogous amide - Carboxylic acid ester - Lactam - Lactone - Cyclic ketone - Azacycle - Oxacycle - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Carboxylic acid amidine - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Amidine - Hydrocarbon derivative - Alcohol - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organic nitrogen 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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