Compound Identification
SMILES
Cl.CCCCCCCC(O)=O.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)CO)C2=O
InChIKey
InChIKey=AGQAYGDRTQNDAB-GAJHUODUSA-N
Formula
C35H46ClNO13
Mass
724.2
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 Medium-chain fatty acids Aryl ketones Anisoles Alkyl aryl ethers Straight chain fatty acids Oxanes Vinylogous acids Tertiary alcohols Alpha-hydroxy ketones 1,2-aminoalcohols Secondary alcohols Acetals Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Organopnictogen compounds Primary alcohols Monoalkylamines Aldehydes Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Not available
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 - Medium-chain fatty acid - Alkyl aryl ether - Amino saccharide - Fatty acyl - Fatty acid - Monosaccharide - Oxane - Straight chain fatty acid - Benzenoid - Alpha-hydroxy ketone - Tertiary alcohol - Vinylogous acid - Secondary alcohol - 1,2-aminoalcohol - Ketone - Polyol - Oxacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Acetal - Ether - Carboxylic acid - Carboxylic acid derivative - Aldehyde - Carbonyl group - Primary aliphatic amine - Hydrochloride - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Primary alcohol - Primary amine - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - 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