Compound Identification
SMILES
Cl.COC1=CC=CC2=C1C(=O)C1=C(C(O)=C3C[C@](O)(C[C@H](OC4CC(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(O)C(C)O4)C3=C1O)C(=O)CO)C2=O
InChIKey
InChIKey=MBNNPAGDKCSBMI-VLBQCKBUSA-N
Formula
C49H70ClN5O16
Mass
1020.57
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
Oligopeptides Tetracenequinones Anthraquinones Leucine and derivatives Valine and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid amides O-glycosyl compounds Tetralins Anisoles Aryl ketones Alkyl aryl ethers Oxanes N-acyl amines Monosaccharides Vinylogous acids Alpha-hydroxy ketones Tertiary alcohols Carbamate esters Secondary alcohols Secondary carboxylic acid amides Oxacyclic compounds Polyols Acetals Monoalkylamines Organic oxides Primary alcohols Organopnictogen compounds Aldehydes Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Alpha-oligopeptide - Alpha peptide - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - Leucine or derivatives - Valine or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Glycosyl compound - O-glycosyl compound - Tetralin - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Aryl ketone - Anisole - Alkyl aryl ether - Benzenoid - Fatty amide - Monosaccharide - N-acyl-amine - Oxane - Fatty acyl - Tertiary alcohol - Alpha-hydroxy ketone - Carbamic acid ester - Vinylogous acid - Secondary alcohol - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Ketone - Polyol - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Ether - Acetal - Primary alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aldehyde - Hydrochloride - Amine - Alcohol - Organonitrogen compound - Carbonyl group - Primary aliphatic amine - Organooxygen compound - Primary amine - Organic nitrogen 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