Structure Information
Structure

Compound Identification

SMILES

CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=C1N=C1C=CC(OCCC[N+]4=CC=CC(CO)=C4)=C(C1=C3)[N+]([O-])=O)C2=O

InChIKey

InChIKey=JYFZFAQEFVQKPL-LJAQVGFWSA-N

Formula

C29H27N4O8

Mass

559.554

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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 - Phenol ether - Alkyl aryl ether - Pyridinone - Pyridine - Pyridinium - Benzenoid - Heteroaromatic compound - Tertiary alcohol - Carboxylic acid ester - Lactam - Lactone - C-nitro compound - Organic nitro compound - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Organic oxoazanium - Oxacycle - Azacycle - Organic oxide - Organic oxygen compound - Aromatic alcohol - Organic nitrogen compound - Organic salt - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Primary alcohol - Alcohol - 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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