Structure Information
Structure

Compound Identification

SMILES

CC[13C]1=[13C]2[13CH]=[13C](OC(=O)N3CCC(CC3)[15N]3CCCCC3)[13CH]=[13CH][13C]2=NC2=C1CN1C2=CC2=C(C(O)OC(=O)[C@]2(O)CC)C1=O

InChIKey

InChIKey=ARYWPQOZDTXHMQ-BHHDVFNHSA-N

Formula

C33H38N4O7

Mass

610.628

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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 - Pyranopyridine - Quinoline - Piperidinecarboxylic acid - 4-aminopiperidine - Pyridinone - Piperidine - Pyridine - Benzenoid - Carbamic acid ester - Tertiary alcohol - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxylic acid ester - Hemiacetal - Lactone - Lactam - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Amine - Organonitrogen compound - Organooxygen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - 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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