Compound Identification
SMILES
COC1=CC=CC2=C1C(=O)C1=C(C(O)=C3C[C@](O)(C[C@H](O[C@@H]4O[C@@H](C)C(O)[C@@H](N)[C@H]4F)C3=C1O)C(=O)COC(=O)CC(N)C(O)=O)C2=O
InChIKey
InChIKey=NIGUQVYMJHIHLK-CCISHIQWSA-N
Formula
C31H33FN2O14
Mass
676.603
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 Aspartic acid and derivatives Hexoses O-glycosyl compounds Tetralins Alpha amino acids Aryl ketones Anisoles Fatty acid esters Alkyl aryl ethers Alpha-acyloxy ketones Dicarboxylic acids and derivatives Oxanes Tertiary alcohols Vinylogous acids Alpha-hydroxy ketones 1,2-aminoalcohols Secondary alcohols Amino acids Carboxylic acid esters Oxacyclic compounds Polyols Carboxylic acids Acetals Organic oxides Organofluorides Aldehydes Organopnictogen compounds Alkyl fluorides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Aminoglycoside core - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - Aspartic acid or derivatives - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Alpha-amino acid - Alpha-amino acid or derivatives - Tetralin - Aryl ketone - Anisole - Amino saccharide - Alpha-acyloxy ketone - Alkyl aryl ether - Fatty acid ester - Benzenoid - Oxane - Dicarboxylic acid or derivatives - Fatty acyl - Monosaccharide - Vinylogous acid - Tertiary alcohol - Alpha-hydroxy ketone - Secondary alcohol - 1,2-aminoalcohol - Amino acid or derivatives - Amino acid - Carboxylic acid ester - Ketone - Organoheterocyclic compound - Carboxylic acid - Polyol - Carboxylic acid derivative - Oxacycle - Ether - Acetal - Primary aliphatic amine - Aldehyde - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Primary amine - Amine - Organooxygen compound - Hydrocarbon derivative - Alcohol - Alkyl halide - Organohalogen compound - Carbonyl group - Organofluoride - Alkyl fluoride - 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