Compound Identification
SMILES
COC1C(C)OC(O[C@@H]2C[C@@](C)(O)CC3=C2C(O)=C2C(=O)C4=C(O)C=C5C(OC6OC5(C)[C@@H](O)[C@@H]([C@H]6O)N(C)C)=C4C(=O)C2=C3)C(OC)C1(C)OC
InChIKey
InChIKey=NNEGMXMRXKXKMQ-KFBXHNEYSA-N
Formula
C37H47NO14
Mass
729.776
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 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Aralkylamines Oxanes Tertiary alcohols Vinylogous acids Secondary alcohols 1,2-aminoalcohols Trialkylamines Polyols Oxacyclic compounds Dialkyl ethers Acetals Aldehydes Hydrocarbon derivatives Organic oxides Organopnictogen compounds
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 - Aryl ketone - Amino saccharide - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Benzenoid - Oxane - Monosaccharide - Vinylogous acid - Tertiary alcohol - Tertiary aliphatic amine - 1,2-aminoalcohol - Tertiary amine - Secondary alcohol - Ketone - Organoheterocyclic compound - Acetal - Polyol - Dialkyl ether - Ether - Oxacycle - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Alcohol - Aldehyde - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen 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