Structure Information
Structure

Compound Identification

SMILES

CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=CC4=C(C=CC=C4N=C13)C#CC1=CC3=C(C=C1)C=C(OC)C=C3)C2=O

InChIKey

InChIKey=HDEFKHPQYJRVRX-XIFFEERXSA-N

Formula

C33H24N2O5

Mass

528.564

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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 - Naphthalene - Pyranopyridine - Quinoline - Anisole - Phenol ether - Alkyl aryl ether - Pyridinone - Pyridine - Benzenoid - Heteroaromatic compound - Tertiary alcohol - Carboxylic acid ester - Lactam - Lactone - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Alcohol - Carbonyl group - Organic oxide - 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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