Structure Information
Structure

Compound Identification

SMILES

CC[C@@]1(OC(=O)C2CO2)C(=O)OCC2=C1C=C1N(CC3=C1N=C1C=CC=C(C1=C3)[N+]([O-])=O)C2=O

InChIKey

InChIKey=ZJXYJXHTUKCIEF-IMMUGOHXSA-N

Formula

C23H17N3O8

Mass

463.402

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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 - Oxirane carboxylic acid - Oxirane carboxylic acid or derivatives - Pyridine - Benzenoid - Heteroaromatic compound - Carboxylic acid ester - Lactam - Lactone - C-nitro compound - Organic nitro compound - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Oxacycle - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Dialkyl ether - Organic oxoazanium - Oxirane - Carboxylic acid derivative - Ether - Hydrocarbon derivative - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organic salt - 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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