Compound Identification
SMILES
COCC1(COC)CCN(CC1)C1CC(OC2CC(O)(CC3=C(O)C4=C(C(O)=C23)C(=O)C2=C(C=CC=C2OC)C4=O)C(C)=O)OC(C)C1O
InChIKey
InChIKey=IYMOELBBUZKNDF-UHFFFAOYSA-N
Formula
C36H45NO12
Mass
683.751
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 Piperidines Alpha-hydroxy ketones Vinylogous acids Tertiary alcohols 1,2-aminoalcohols Trialkylamines Secondary alcohols Acetals Oxacyclic compounds Polyols Azacyclic compounds Dialkyl ethers 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 - Anisole - Aryl ketone - Alkyl aryl ether - Amino saccharide - Monosaccharide - Benzenoid - Oxane - Piperidine - Alpha-hydroxy ketone - Vinylogous acid - Tertiary alcohol - 1,2-aminoalcohol - Tertiary aliphatic amine - Ketone - Secondary alcohol - Tertiary amine - Acetal - Azacycle - Oxacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Polyol - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Alcohol - 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