Compound Identification
SMILES
Cl.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]5C[C@H](N)[C@H](O)[C@H](C)O5)[C@H](C)O4)C3=C1O)C(C)=O)C2=O
InChIKey
InChIKey=UEMSQRPTTZYVPP-MRLFYKGRSA-N
Formula
C33H42Cl2N2O12
Mass
729.6
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 O-glycosyl compounds Disaccharides Tetralins Anisoles Aryl ketones Alkyl aryl ethers Oxanes Vinylogous acids Tertiary alcohols Alpha-hydroxy ketones Secondary alcohols 1,2-aminoalcohols Polyols Acetals Oxacyclic compounds Organic oxides Organopnictogen compounds Aldehydes Monoalkylamines Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Aminoglycoside core - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - Disaccharide - Glycosyl compound - O-glycosyl compound - Tetralin - Aryl ketone - Anisole - Amino saccharide - Alkyl aryl ether - Benzenoid - Oxane - Vinylogous acid - Alpha-hydroxy ketone - Tertiary alcohol - Secondary alcohol - 1,2-aminoalcohol - Ketone - Polyol - Organoheterocyclic compound - Oxacycle - Ether - Acetal - Primary amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Organooxygen compound - Carbonyl group - Alcohol - Aldehyde - Hydrochloride - Primary aliphatic 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