Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=WEVKJFULQRGEKE-IMMUGOHXSA-N

Formula

C23H19N3O7

Mass

449.419

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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 - Pyridine - Benzenoid - Heteroaromatic compound - Tertiary alcohol - Carboxylic acid ester - Ketone - Lactam - Lactone - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Azacycle - Oxacycle - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxoazanium - Carboxylic acid derivative - Organic salt - Organic oxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organic zwitterion - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Alcohol - 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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