Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=CC(NC(=O)C2=CC(NOC(=O)COC3=CC4=CC5=C(N=C4C=C3)C3=CC4=C(COC(=O)C4(O)CC)C(=O)N3C5)=CN2COC)=CN1COC

InChIKey

InChIKey=YUZGQRHETITHDY-UHFFFAOYSA-N

Formula

C38H38N6O12

Mass

770.752

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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 - Phenoxyacetate - Pyranopyridine - Quinoline - 2-heteroaryl carboxamide - Phenol ether - Pyrrole-2-carboxamide - Pyrrole-2-carboxylic acid or derivatives - Alkyl aryl ether - Pyridinone - Dicarboxylic acid or derivatives - Pyridine - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Tertiary alcohol - Pyrrole - Lactone - Lactam - Carboxylic acid ester - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Oxacycle - Ether - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Alcohol - Organic oxide - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - 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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