Compound Identification
SMILES
CCC1(O)CC(OC2CC(C(O)C(C)O2)N(C)C)C2=C(O)C3=C(C(O)=C2C1OC1CC(C(O)C(C)O1)N(C)C)C(=O)C1=C(C(O)=CC=C1)C3=O
InChIKey
InChIKey=NWPIUETWDSWOKV-UHFFFAOYSA-N
Formula
C36H48N2O12
Mass
700.782
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-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Oxanes Vinylogous acids Tertiary alcohols 1,2-aminoalcohols Trialkylamines Secondary alcohols Oxacyclic compounds Polyols Acetals Organopnictogen compounds Organic oxides Hydrocarbon derivatives
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 - Aryl ketone - Amino saccharide - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Monosaccharide - Oxane - Vinylogous acid - Tertiary alcohol - Tertiary aliphatic amine - 1,2-aminoalcohol - Tertiary amine - Ketone - Secondary alcohol - Oxacycle - Acetal - Organoheterocyclic compound - Polyol - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Alcohol - Organic nitrogen compound - Organonitrogen 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