Compound Identification
SMILES
[H]OC1=C2C(=O)C3=C(C([H])=C4C(=C3O[H])[C@@]([H])(O[C@@]3([H])O[C@]([H])(C([H])([H])[H])[C@]([H])(O[C@@]5([H])O[C@]([H])(C([H])([H])[H])[C@@]6([H])O[C@@]7([H])O[C@]([H])(C(=O)C([H])([H])[C@]7([H])O[C@@]6([H])C5([H])[H])C([H])([H])[H])[C@@]([H])(N(C([H])([H])[H])C([H])([H])[H])C3([H])[H])C([H])([H])[C@@](O[H])(C([H])([H])C(=O)C([H])([H])[H])[C@]4([H])C(=O)OC([H])([H])[H])C(=O)C2=C([H])C([H])=C1[H]
InChIKey
InChIKey=DONDQYGRHMLYMF-YUZAOWNQSA-N
Formula
C43H51NO16
Mass
837.872
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 Anthracenecarboxylic acids Aminoglycosides Anthraquinones Naphthalenecarboxylic acids and derivatives Tetralins Pyranodioxins O-quinomethanes M-quinomethanes Aryl ketones Fatty acid esters Cyclohexenones 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Oxanes Beta-hydroxy ketones Alpha-branched alpha,beta-unsaturated ketones 1,4-dioxanes Vinylogous acids Tertiary alcohols Methyl esters Enones Acryloyl compounds Trialkylamines Cyclic alcohols and derivatives Amino acids and derivatives Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracyclinone-skeleton - Tetracenequinone - Aminoglycoside core - Anthracene carboxylic acid or derivatives - Anthracene carboxylic acid - 1,4-anthraquinone - 9,10-anthraquinone - Anthracene - 1-naphthalenecarboxylic acid or derivatives - Tetralin - Pyranodioxin - Aryl ketone - Quinomethane - O-quinomethane - M-quinomethane - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Cyclohexenone - Amino saccharide - Fatty acid ester - Fatty acyl - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - Oxane - Beta-hydroxy ketone - Para-dioxane - Vinylogous acid - Alpha,beta-unsaturated ketone - Methyl ester - Tertiary alcohol - Enone - Cyclic alcohol - Acryloyl-group - Cyclic ketone - Tertiary aliphatic amine - Tertiary amine - Ketone - Carboxylic acid ester - Amino acid or derivatives - Oxacycle - Organoheterocyclic compound - Polyol - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - 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