Compound Identification
SMILES
COC(=O)[C@@H]1C2=C(C(C[C@@]1(C)O)[C@H]1C[C@@H]([C@H](OC3C[C@@H]4O[C@H]5CC(=O)[C@H](C)O[C@H]5O[C@@H]4[C@H](C)O3)[C@H](C)O1)N(C)C)C(O)=C1C(=O)C3=C(C(O)=CC=C3)C(=O)C1=C2
InChIKey
InChIKey=PPLHMDWJSFFSBM-KYEKDCFOSA-N
Formula
C41H49NO14
Mass
779.836
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 Anthraquinones Naphthalenecarboxylic acids and derivatives Tetralins Pyranodioxins Aryl ketones Aralkylamines 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids 1,4-dioxanes Monosaccharides Oxanes Tertiary alcohols Methyl esters Vinylogous acids Amino acids and derivatives Trialkylamines Cyclic ketones Polyols Oxacyclic compounds Acetals Monocarboxylic acids and derivatives Dialkyl ethers Organic oxides Organopnictogen compounds Hydrocarbon derivatives Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Tetracenequinone - Anthracene carboxylic acid - Anthracene carboxylic acid or derivatives - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - 1-naphthalenecarboxylic acid or derivatives - Pyranodioxin - Tetralin - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Para-dioxane - Monosaccharide - Oxane - Benzenoid - Tertiary alcohol - Vinylogous acid - Methyl ester - Tertiary amine - Tertiary aliphatic amine - Cyclic ketone - Amino acid or derivatives - Carboxylic acid ester - Ketone - Polyol - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Dialkyl ether - Ether - Acetal - Monocarboxylic acid or derivatives - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organooxygen compound - Aldehyde - Amine - Organonitrogen compound - Organic nitrogen compound - Organic oxygen 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