Structure Information
Structure

Compound Identification

SMILES

CCC1=C2C=C(O)C=CC2=NC2=C1CN1C2=CC(=C(CO)C1=O)[C@@](O)(CC)C([O-])=O

InChIKey

InChIKey=IRKZFHZUIBLGKU-QFIPXVFZSA-M

Formula

C22H21N2O6

Mass

409.419

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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 - Hydroxyquinoline - Quinoline - 1-hydroxy-2-unsubstituted benzenoid - Pyridinone - Pyridine - Benzenoid - Tertiary alcohol - Heteroaromatic compound - Lactam - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Alcohol - Aromatic alcohol - Organic anion - 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

CHEBI:8989 : quinolines

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