Structure Information
Structure

Compound Identification

SMILES

CCC1=C2CN3C(=CC4=C(COC(=O)C4(CC)OC(=O)CN(C)C)C3=O)C2=NC2=CC3=C(OC(F)(F)O3)C(=C12)[N+]([O-])=O

InChIKey

InChIKey=XXPNSARATHYYSX-UHFFFAOYSA-N

Formula

C27H24F2N4O9

Mass

586.505

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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 - Alpha-amino acid ester - Nitroquinoline - Alpha-amino acid or derivatives - Pyranopyridine - Quinoline - Benzodioxole - Nitroaromatic compound - Pyridinone - Dicarboxylic acid or derivatives - Pyridine - Benzenoid - Heteroaromatic compound - Amino acid or derivatives - Carboxylic acid ester - Lactam - Lactone - C-nitro compound - Organic nitro compound - Tertiary amine - Tertiary aliphatic amine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Azacycle - Organic oxoazanium - Organic oxygen compound - Organic nitrogen compound - Organic zwitterion - Alkyl halide - Carbonyl group - Hydrocarbon derivative - Amine - Organic salt - Organohalogen compound - Organic oxide - Organofluoride - Organonitrogen compound - Organooxygen compound - Alkyl fluoride - 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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