Compound Identification
SMILES
CC[C@@]1(O)C[C@H](O[C@H]2C[C@@H]([C@H](O[C@H]3C[C@@H]4O[C@H]5CC(=O)[C@H](C)O[C@H]5O[C@@H]4[C@H](C)O3)[C@H](C)O2)N(C)C)C2=C(O)C3=C(C(O)=C2[C@H]1O[C@H]1C[C@@H]([C@H](O[C@H]2CCC(O[C@@H]4O[C@@H](C)C(=O)C=C4)[C@H](C)O2)[C@H](C)O1)N(C)C)C(=O)C1=C(C(O)=CC=C1)C3=O
InChIKey
InChIKey=SGOOJJACKKMDRV-NCSOINJOSA-N
Formula
C60H80N2O21
Mass
1165.293
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 Disaccharides O-glycosyl compounds Tetralins Pyranodioxins Aryl ketones Dihydropyranones 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids 1,4-dioxanes Oxanes Tertiary alcohols Vinylogous acids Trialkylamines Cyclic ketones Polyols Oxacyclic compounds Acetals Dialkyl ethers Aldehydes Organic oxides Hydrocarbon derivatives Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Aminoglycoside core - Tetracenequinone - 1,4-anthraquinone - 9,10-anthraquinone - Anthracene - O-glycosyl compound - Glycosyl compound - Disaccharide - Tetralin - Pyranodioxin - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - Amino saccharide - Dihydropyranone - 1-hydroxy-2-unsubstituted benzenoid - Para-dioxane - Benzenoid - Oxane - Pyran - Tertiary alcohol - Vinylogous acid - Tertiary amine - Tertiary aliphatic amine - Cyclic ketone - Ketone - Polyol - Acetal - Ether - Organoheterocyclic compound - Dialkyl ether - Oxacycle - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Organonitrogen compound - Aldehyde - 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