Structure Information
Structure

Compound Identification

SMILES

Cl.COC1=CC=CC2=C1C(=O)C1=C(C(O)=C3C[C@](O)(C[C@H](O[C@H]4C[C@H](N)[C@H](O)[C@H](C)O4)C3=C1O)C(=O)COC(=O)\C=C\C1=CC(OC)=C(O)C=C1)C2=O

InChIKey

InChIKey=YMIZIHFZAZWBEU-VRHYCYNLSA-N

Formula

C37H38ClNO14

Mass

756.15

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Anthracyclines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Anthracyclines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Anthracycline - Anthracyclinone-skeleton - Tetracenequinone - Aminoglycoside core - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - Hydroxycinnamic acid or derivatives - Cinnamic acid ester - Hexose monosaccharide - Cinnamic acid or derivatives - Coumaric acid or derivatives - O-glycosyl compound - Glycosyl compound - Methoxyphenol - Tetralin - Methoxybenzene - Anisole - Phenol ether - Phenoxy compound - Styrene - Aryl ketone - Alpha-acyloxy ketone - Amino saccharide - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Alkyl aryl ether - Fatty acid ester - Fatty acyl - Monocyclic benzene moiety - Benzenoid - Monosaccharide - Oxane - Alpha-hydroxy ketone - Tertiary alcohol - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous acid - Amino acid or derivatives - 1,2-aminoalcohol - Secondary alcohol - Ketone - Carboxylic acid ester - Polyol - Monocarboxylic acid or derivatives - Oxacycle - Acetal - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Primary aliphatic amine - Hydrochloride - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Primary amine - Alcohol - Aldehyde - Amine - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as anthracyclines. These are polyketides containing a tetracenequinone ring structure with a sugar attached by glycosidic linkage.

External Descriptors

Not available

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