Compound Identification
SMILES
COC1=CC=CC2=C1C(=O)C1=C(C(O)=C3C[C@](O)(C[C@H](O[C@H]4C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N)[C@H](O)[C@H](C)O4)C3=C1O)C(C)=O)C2=O
InChIKey
InChIKey=NPQMKPQEGGRYCH-NODAXKKOSA-N
Formula
C36H45N3O12
Mass
711.765
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 Dipeptides Anthraquinones Leucine and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid amides Hexoses Alanine and derivatives O-glycosyl compounds Tetralins Anisoles Aryl ketones Alkyl aryl ethers Oxanes N-acyl amines Alpha-hydroxy ketones Tertiary alcohols Vinylogous acids Secondary alcohols Secondary carboxylic acid amides Oxacyclic compounds Acetals Polyols Organic oxides Hydrocarbon derivatives Organopnictogen compounds Aldehydes Monoalkylamines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Alpha-dipeptide - Alpha peptide - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - Leucine or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Hexose monosaccharide - Alanine or derivatives - Glycosyl compound - O-glycosyl compound - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Tetralin - Anisole - Aryl ketone - Alkyl aryl ether - Benzenoid - Oxane - Fatty amide - N-acyl-amine - Monosaccharide - Fatty acyl - Tertiary alcohol - Alpha-hydroxy ketone - Vinylogous acid - Secondary alcohol - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Ketone - Organoheterocyclic compound - Ether - Acetal - Polyol - Oxacycle - Carboxylic acid derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Aldehyde - Amine - Organonitrogen compound - Alcohol - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Primary amine - Primary aliphatic amine - 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