Compound Identification
SMILES
COC1C(C)OC(OC2CC(C)(O)CC3=C2C(O)=C2C(=O)C4=C(OC)C=C5C(OC6OC5(C)C(O)C(C6O)N(C)C)=C4C(=O)C2=C3)C(OC)C1(C)OC
InChIKey
InChIKey=LEIKJOOMWGHTSY-UHFFFAOYSA-N
Formula
C38H49NO14
Mass
743.803
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 Aralkylamines Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids Oxanes Tertiary alcohols Vinylogous acids 1,2-aminoalcohols Secondary alcohols Trialkylamines Polyols Oxacyclic compounds Acetals Dialkyl ethers Organopnictogen compounds Organic oxides Hydrocarbon derivatives Aldehydes
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 - Amino saccharide - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - Aralkylamine - Benzenoid - Oxane - Monosaccharide - Vinylogous acid - Tertiary alcohol - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - 1,2-aminoalcohol - Ketone - Acetal - Polyol - Organoheterocyclic compound - Dialkyl ether - Ether - Oxacycle - Organopnictogen compound - Organic oxygen compound - Alcohol - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aldehyde - Organooxygen compound - 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