Compound Identification
SMILES
CCC1(O)CC(O[C@H]2C[C@@H]([C@H](O)[C@H](C)O2)N(C)C)C2=C(C1O[C@H]1C[C@@H]([C@H](O)[C@H](C)O1)N(C)C)C(O)=C1C(=O)C3=C(C(O)=CC=C3)C(=O)C1=C2
InChIKey
InChIKey=LQNQZSVFAICQKC-MVOYIEGKSA-N
Formula
C36H48N2O11
Mass
684.783
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 Tetralins Aryl ketones 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Oxanes Monosaccharides Vinylogous acids Tertiary alcohols 1,2-aminoalcohols Trialkylamines Secondary alcohols Oxacyclic compounds Polyols Acetals Aldehydes Organopnictogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Aminoglycoside core - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - Glycosyl compound - O-glycosyl compound - Tetralin - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - Amino saccharide - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Monosaccharide - Oxane - Tertiary alcohol - Vinylogous acid - Secondary alcohol - Tertiary amine - Ketone - 1,2-aminoalcohol - Tertiary aliphatic amine - Polyol - Organoheterocyclic compound - Oxacycle - Acetal - Alcohol - Organic oxide - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Aldehyde - 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