Compound Identification
SMILES
CCCCC(=O)SCC(=O)[C@@]1(O)C[C@H](OC2CC(N)C(O)C(C)O2)C2=C(O)C3=C(C(O)=C2C1)C(=O)C1=C(C3=O)C(OC)=CC=C1
InChIKey
InChIKey=MILKFEGXZHGXCC-KPQOZWHDSA-N
Formula
C32H37NO11S
Mass
643.7
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 Hexoses O-glycosyl compounds Tetralins Anisoles Aryl ketones Alkyl aryl ethers Fatty acyl thioesters Oxanes Vinylogous acids Tertiary alcohols Alpha-hydroxy ketones 1,2-aminoalcohols Thioesters Amino acids and derivatives Secondary alcohols Carbothioic S-esters Oxacyclic compounds Polyols Acetals Sulfenyl compounds Aldehydes Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracyclinone-skeleton - Anthracycline - Tetracenequinone - Aminoglycoside core - 1,4-anthraquinone - 9,10-anthraquinone - Anthracene - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Tetralin - Anisole - Aryl ketone - Fatty acyl thioester - Amino saccharide - Alkyl aryl ether - Monosaccharide - Oxane - Benzenoid - Vinylogous acid - Tertiary alcohol - Alpha-hydroxy ketone - 1,2-aminoalcohol - Secondary alcohol - Amino acid or derivatives - Carbothioic s-ester - Ketone - Thiocarboxylic acid ester - Acetal - Oxacycle - Organoheterocyclic compound - Sulfenyl compound - Thiocarboxylic acid or derivatives - Polyol - Carboxylic acid derivative - Ether - Organopnictogen compound - Primary amine - Organic oxygen compound - Aldehyde - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Amine - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - 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