Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=RELITXWVGIACMT-MHZLTWQESA-N

Formula

C27H20BrN3O5

Mass

546.377

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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 - Benzoate ester - Pyranopyridine - Quinoline - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoyl - Bromobenzene - Halobenzene - Pyridinone - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Benzenoid - Pyridine - Heteroaromatic compound - Carboxylic acid ester - Lactone - Amino acid or derivatives - Lactam - Carboxylic acid derivative - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Azacycle - Oxacycle - Primary amine - Hydrocarbon derivative - Carbonyl group - Amine - Organic oxide - Organic oxygen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organic nitrogen compound - Organooxygen 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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