Compound Identification
SMILES
[Br-].CC1OC(CC(N)C1O)OC1CC(O)(CC2=C(O)C3=C(C(O)=C12)C(=O)C1=C(C=CC=C1O)C3=O)C(=O)C[N+]1=CC=CC=C1
InChIKey
InChIKey=HOGZQUMZIYVPAR-UHFFFAOYSA-N
Formula
C31H31BrN2O10
Mass
671.497
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 Aryl ketones 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Pyridinium derivatives Oxanes Vinylogous acids Tertiary alcohols Heteroaromatic compounds Alpha-hydroxy ketones Secondary alcohols 1,2-aminoalcohols Polyols Oxacyclic compounds Azacyclic compounds Acetals Organopnictogen compounds Organic zwitterions Organic oxides Organic bromide salts Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracyclinone-skeleton - Anthracycline - Tetracenequinone - Aminoglycoside core - 1,4-anthraquinone - 9,10-anthraquinone - Anthracene - Hexose monosaccharide - O-glycosyl compound - Glycosyl compound - Tetralin - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Amino saccharide - Benzenoid - Pyridinium - Pyridine - Oxane - Monosaccharide - Heteroaromatic compound - Vinylogous acid - Tertiary alcohol - Alpha-hydroxy ketone - Secondary alcohol - Ketone - 1,2-aminoalcohol - Oxacycle - Azacycle - Organoheterocyclic compound - Polyol - Acetal - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic bromide salt - Organic salt - Organic zwitterion - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Amine - 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