Structure Information
Structure

Compound Identification

SMILES

Cl.CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=C(C=NC4=CC=CC=C4N[C@H]4[C@H]5COC(=O)[C@@H]5[C@H](C5=CC(OC)=C(O)C(OC)=C5)C5=CC6=C(OCO6)C=C45)C4=CC=CC=C4N=C13)C2=O

InChIKey

InChIKey=IGQDFHASVXHFOP-ULLBRXORSA-N

Formula

C48H41ClN4O11

Mass

885.32

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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 - Lignan lactone - 1-aryltetralin lignan - Tametraline - Linear furanonaphthodioxole - Naphthofuran - Tetralin - Quinoline - Dimethoxybenzene - M-dimethoxybenzene - Pyranopyridine - Methoxyphenol - Benzodioxole - Phenoxy compound - Anisole - Methoxybenzene - Aniline or substituted anilines - Phenol ether - Phenylalkylamine - Alkyl aryl ether - Phenol - Pyridinone - Secondary aliphatic/aromatic amine - Aralkylamine - Dicarboxylic acid or derivatives - Gamma butyrolactone - Monocyclic benzene moiety - Benzenoid - Pyridine - Heteroaromatic compound - Tertiary alcohol - Oxolane - Carboxylic acid ester - Shiff base - Lactam - Lactone - Amino acid or derivatives - Acetal - Carboxylic acid derivative - Secondary amine - Propargyl-type 1,3-dipolar organic compound - Ether - Aldimine - Organoheterocyclic compound - Azacycle - Oxacycle - Organic 1,3-dipolar compound - Amine - Imine - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Alcohol - Hydrochloride - 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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