Compound Identification
SMILES
COC1=CC=CC2=C1C(=O)C1=C(C(O)=C3C[C@](O)(C[C@H](O[C@H]4C[C@H](N)[C@H](OC(CC(C)O)OC(C)C(O)=O)[C@H](C)O4)C3=C1O)C(C)=O)C2=O
InChIKey
InChIKey=FEMNWPQDEXLDKE-WDLAWJQVSA-N
Formula
C34H41NO14
Mass
687.695
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Anthracyclines
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Anthracyclines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Anthracyclines
Alternative Parents
Tetracenequinones Aminoglycosides Anthraquinones Hexoses O-glycosyl compounds Tetralins Anisoles Aryl ketones Alkyl aryl ethers Oxanes Tertiary alcohols Alpha-hydroxy ketones Vinylogous acids Secondary alcohols Amino acids Monocarboxylic acids and derivatives Oxacyclic compounds Carboxylic acids Acetals Polyols Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives Aldehydes Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Aminoglycoside core - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Tetralin - Anisole - Aryl ketone - Amino saccharide - Alkyl aryl ether - Monosaccharide - Benzenoid - Oxane - Tertiary alcohol - Vinylogous acid - Alpha-hydroxy ketone - Amino acid - Amino acid or derivatives - Ketone - Secondary alcohol - Acetal - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Oxacycle - Ether - Carboxylic acid - Carboxylic acid derivative - Polyol - Primary amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Primary aliphatic amine - Amine - Organonitrogen compound - Organooxygen compound - Aldehyde - Alcohol - 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