Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=QAFJRWPJWFHHSX-QHCPKHFHSA-N

Formula

C23H17N3O7

Mass

447.403

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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 - Nitroquinoline - Pyranopyridine - Quinoline - Nitroaromatic compound - Pyridinone - Dicarboxylic acid or derivatives - Acrylic acid ester - Pyridine - Benzenoid - Acrylic acid or derivatives - Heteroaromatic compound - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Organic nitro compound - Carboxylic acid ester - Lactam - Lactone - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Organic 1,3-dipolar compound - Organic oxoazanium - Carbonyl group - Organic salt - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic cation - 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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