Compound Identification
SMILES
COC1=CC=CC2=C1C(=O)C1=C(C(O)=C3C[C@](O)(C[C@H](O[C@H]4CC(=C)C[C@H](C)O4)C3=C1O)C(=O)COC(=O)OCC1=CC=C(NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@H](NC(=O)CCCCCN3C(=O)C=CC3=O)C(C)C)C=C1)C2=O
InChIKey
InChIKey=IZFGRKRJBSTUOS-OXXPSNTMSA-N
Formula
C57H66N6O18
Mass
1123.179
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 Valine and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid amides Tetralins Benzyloxycarbonyls Anilides Anisoles Aryl ketones N-arylamides Alkyl aryl ethers Maleimides Oxanes Carbonic acid diesters N-acyl amines N-substituted carboxylic acid imides Dicarboximides Pyrrolines Tertiary alcohols Alpha-hydroxy ketones Vinylogous acids Secondary carboxylic acid amides Ureas Oxacyclic compounds Acetals Azacyclic compounds Polyols Hydrocarbon derivatives Aldehydes Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Alpha-dipeptide - Tetracenequinone - Alpha peptide - 1,4-anthraquinone - 9,10-anthraquinone - Anthracene - N-acyl-alpha amino acid or derivatives - Valine or derivatives - Alpha-amino acid amide - Tetralin - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Anilide - N-arylamide - Aryl ketone - Anisole - Alkyl aryl ether - Maleimide - Fatty acyl - Monocyclic benzene moiety - Carbonic acid diester - Fatty amide - N-acyl-amine - Benzenoid - Carboxylic acid imide, n-substituted - Oxane - Vinylogous acid - Alpha-hydroxy ketone - Carboxylic acid imide - Dicarboximide - Pyrroline - Tertiary alcohol - Carboxamide group - Urea - Ketone - Secondary carboxylic acid amide - Carbonic acid derivative - Ether - Oxacycle - Azacycle - Carboxylic acid derivative - Polyol - Acetal - Organoheterocyclic compound - Organic oxide - Alcohol - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Aldehyde - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organopnictogen 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