Structure Information
Structure

Compound Identification

SMILES

[Na+].CCC(O)(C([O-])=O)C1=C(CO)C(=O)N2CC3=C(N=C4C=CC=C(N)C4=C3)C2=C1

InChIKey

InChIKey=YXCNTVOJVSGRHA-UHFFFAOYSA-M

Formula

C20H18N3NaO5

Mass

403.37

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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 - Aminoquinoline - Quinoline - Pyridinone - Pyridine - Benzenoid - Heteroaromatic compound - Tertiary alcohol - Amino acid or derivatives - Carboxylic acid salt - Lactam - Amino acid - Organoheterocyclic compound - Organic alkali metal salt - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic sodium salt - Primary amine - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic oxide - Alcohol - Organic nitrogen compound - Amine - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Aromatic alcohol - Organic salt - Organic zwitterion - 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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