Compound Identification
SMILES
CO[C@H]1[C@H](C)O[C@@H](O[C@H]2C[C@](C)(O)[C@H](C(O)=O)C3=C2C(O)=C2C(=O)C4=C(O)C=C5C(O[C@@H]6O[C@@]5(C)[C@H](O)[C@H]([C@@H]6O)N(C)C)=C4C(=O)C2=C3)[C@H](OC)[C@]1(C)OC
InChIKey
InChIKey=HPSWLXWDFWBBLR-YFICQLNDSA-N
Formula
C38H47NO16
Mass
773.785
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 Anthracenecarboxylic acids Anthraquinones Naphthalenecarboxylic acids Hexoses O-glycosyl compounds Tetralins Aryl ketones 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Aralkylamines Oxanes Tertiary alcohols Vinylogous acids 1,2-aminoalcohols Secondary alcohols Amino acids Trialkylamines Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Oxacyclic compounds Polyols Acetals Hydrocarbon derivatives Organopnictogen compounds Aldehydes 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 - 1-naphthalenecarboxylic acid or derivatives - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Tetralin - Aryl ketone - Amino saccharide - Aralkylamine - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Monosaccharide - Oxane - Vinylogous acid - Tertiary alcohol - Amino acid or derivatives - Amino acid - 1,2-aminoalcohol - Secondary alcohol - Tertiary amine - Ketone - Tertiary aliphatic amine - Oxacycle - Organoheterocyclic compound - Polyol - Acetal - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aldehyde - Hydrocarbon derivative - Carbonyl group - Amine - Alcohol - Organic nitrogen compound - Organooxygen compound - 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