Compound Identification
SMILES
CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@@H](C[C@@]2(C)N)O[C@H]2[C@H](C)O[C@@H](C[C@@]2(C)N)O[C@H]2[C@H]([C@H](O)[C@@H]3OC4=C(C=CC5=C4C(=O)C4=C(C(O)=C6[C@H](CC(C)(O)CC6=C4O)O[C@H]4C[C@@H]([C@H](O)[C@H](C)O4)N(C)C)C5=O)[C@@]2(C)O3)N(C)C)O[C@@H](C)[C@H]1OC(=O)CCC(O)=O
InChIKey
InChIKey=XMRHMVSZMLOUMS-FJSGLXBKSA-N
Formula
C60H86N4O22
Mass
1215.354
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 Aryl ketones Fatty acid esters Aralkylamines Dicarboxylic acids and derivatives Oxanes Vinylogous acids Tertiary alcohols Secondary alcohols Carboxylic acid esters Trialkylamines 1,2-aminoalcohols Amino acids Polyols Acetals Oxacyclic compounds Dialkyl ethers Carboxylic acids Organic oxides Monoalkylamines Hydrocarbon derivatives Aldehydes Organopnictogen compounds
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 - Tetralin - Aryl ketone - Fatty acid ester - Aralkylamine - Amino saccharide - Benzenoid - Dicarboxylic acid or derivatives - Oxane - Fatty acyl - Vinylogous acid - Tertiary alcohol - Carboxylic acid ester - Tertiary amine - Secondary alcohol - Tertiary aliphatic amine - Amino acid or derivatives - 1,2-aminoalcohol - Amino acid - Ketone - Acetal - Ether - Oxacycle - Polyol - Dialkyl ether - Carboxylic acid - Organoheterocyclic compound - Carboxylic acid derivative - Primary amine - Carbonyl group - Hydrocarbon derivative - Primary aliphatic amine - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Amine - Aldehyde - Organooxygen compound - 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