Compound Identification
SMILES
COC1=CC=CC2=C1C(=O)C1=C(C(O)=C3CC(O)(CC(OC4CC(N)C(O)C(C)O4)C3=C1O)C(C)=NNC(=O)C=CC(=O)NN=C(C)C1(O)CC(OC3CC(N)C(O)C(C)O3)C3=C(O)C4=C(C(O)=C3C1)C(=O)C1=C(C4=O)C(OC)=CC=C1)C2=O
InChIKey
InChIKey=HOOSQZXONCTZRB-UHFFFAOYSA-N
Formula
C58H62N6O20
Mass
1163.156
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 Oxanes Tertiary alcohols Vinylogous acids 1,2-aminoalcohols Secondary alcohols Amino acids and derivatives Oxacyclic compounds Polyols Acetals Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives Aldehydes Organic oxides
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 - Amino saccharide - Oxane - Monosaccharide - Benzenoid - Tertiary alcohol - Vinylogous acid - Secondary alcohol - 1,2-aminoalcohol - Amino acid or derivatives - Ketone - Polyol - Acetal - Ether - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Primary amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Primary aliphatic amine - Amine - Organonitrogen compound - Aldehyde - Alcohol - Organooxygen 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