Compound Identification
SMILES
CCCCCC(=O)SCC(=O)OCC(=O)C1(O)CC(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=MHHGZXNBAAGWGB-UHFFFAOYSA-N
Formula
C35H41NO13S
Mass
715.77
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 Aryl ketones Anisoles Fatty acyl thioesters Alkyl aryl ethers Alpha-acyloxy ketones Oxanes Vinylogous acids Tertiary alcohols Alpha-hydroxy ketones 1,2-aminoalcohols Carbothioic S-esters Thioesters Secondary alcohols Carboxylic acid esters Amino acids and derivatives Sulfenyl compounds Acetals Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Aminoglycoside core - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Tetralin - Anisole - Aryl ketone - Alkyl aryl ether - Alpha-acyloxy ketone - Fatty acyl thioester - Amino saccharide - Benzenoid - Oxane - Monosaccharide - Tertiary alcohol - Vinylogous acid - Alpha-hydroxy ketone - 1,2-aminoalcohol - Secondary alcohol - Carboxylic acid ester - Thiocarboxylic acid ester - Carbothioic s-ester - Ketone - Amino acid or derivatives - Monocarboxylic acid or derivatives - Acetal - Thiocarboxylic acid or derivatives - Polyol - Ether - Sulfenyl compound - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Primary aliphatic amine - Amine - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary 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