Structure Information
Structure

Compound Identification

SMILES

CC(O)=O.CCCCNCCC1=C2CN3C(=CC4=C(COC(=O)C4(O)CC)C3=O)C2=NC2=CC3=C(OCO3)C=C12

InChIKey

InChIKey=CDTXIPRRSUMSBL-UHFFFAOYSA-N

Formula

C29H33N3O8

Mass

551.596

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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

Not available

Substituents

Camptothecin - Pyranopyridine - Quinoline - Benzodioxole - Pyridinone - Aralkylamine - Benzenoid - Pyridine - Heteroaromatic compound - Tertiary alcohol - Amino acid or derivatives - Carboxylic acid ester - Lactam - Lactone - Oxacycle - Azacycle - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Organoheterocyclic compound - Secondary amine - Monocarboxylic acid or derivatives - Acetal - Hydrocarbon derivative - Alcohol - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Organic oxide - Amine - 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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