Compound Identification
SMILES
CC[C@@]1(O)C[C@H](O[C@H]2C[C@@H]([C@H](OC3CCC(OC4OC(C)C(=O)C=C4)C(C)O3)[C@H](C)O2)N(C)C)C2=C(O)C3=C(C(O)=C2[C@H]1OC1C[C@@H]([C@H](OC2CC4OC5CC(=O)C(C)OC5OC4C(C)O2)[C@H](C)O1)N(C)C)C(=O)C1=CC=CC=C1C3=O
InChIKey
InChIKey=RGDFBJIPQCZIGF-KGTFDBDCSA-N
Formula
C60H80N2O20
Mass
1149.294
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 1,4-dioxanes Oxanes Tertiary alcohols Vinylogous acids Cyclic ketones Trialkylamines Oxacyclic compounds Polyols Dialkyl ethers Acetals Organopnictogen compounds Organic oxides Hydrocarbon derivatives Aldehydes
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 - Pyranodioxin - Tetralin - Aryl ketone - Dihydropyranone - Amino saccharide - Pyran - Oxane - Benzenoid - Para-dioxane - Tertiary alcohol - Vinylogous acid - Tertiary amine - Cyclic ketone - Tertiary aliphatic amine - Ketone - Polyol - Acetal - Ether - Organoheterocyclic compound - Dialkyl ether - Oxacycle - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Aldehyde - Alcohol - Organonitrogen 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