Compound Identification
SMILES
COC1C(C)OC(O[C@H]2C[C@](C)(O)[C@H](C(=O)OC)c3cc4C(=O)c5c6O[C@@H]7O[C@@](C)([C@H](O)[C@H]([C@@H]7O)N(C)C)c6cc(O)c5C(=O)c4c(O)c23)C(OC)C1(C)OC
InChIKey
InChIKey=KGTDRFCXGRULNK-BSVDYMIGSA-N
Formula
C39H49NO16
Mass
787.812
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 Hexoses O-glycosyl compounds Tetralins Aryl ketones Aralkylamines 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Oxanes Vinylogous acids Tertiary alcohols Methyl esters Secondary alcohols 1,2-aminoalcohols Trialkylamines Amino acids and derivatives Polyols Oxacyclic compounds Acetals Dialkyl ethers Monocarboxylic acids and derivatives Organopnictogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Aminoglycoside core - Tetracenequinone - Anthracene carboxylic acid - Anthracene carboxylic acid or derivatives - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - 1-naphthalenecarboxylic acid or derivatives - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Tetralin - Aryl ketone - Amino saccharide - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Benzenoid - Oxane - Monosaccharide - Methyl ester - Vinylogous acid - Tertiary alcohol - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Secondary alcohol - Carboxylic acid ester - 1,2-aminoalcohol - Ketone - Ether - Dialkyl ether - Acetal - Carboxylic acid derivative - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Oxacycle - Polyol - Alcohol - Organic oxide - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Amine - Organonitrogen compound - Carbonyl group - 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