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)=N/NC(=O)OC(C)(C)C)C2=O
InChIKey
InChIKey=QGJBJELLCRBYNJ-PBEOLHQGSA-N
Formula
C32H39N3O11
Mass
641.674
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 Secondary alcohols 1,2-aminoalcohols Polyols Acetals Oxacyclic compounds Organopnictogen compounds Organic oxides Monoalkylamines 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 - Aryl ketone - Anisole - Amino saccharide - Alkyl aryl ether - Benzenoid - Oxane - Monosaccharide - Vinylogous acid - Tertiary alcohol - Secondary alcohol - 1,2-aminoalcohol - Ketone - Acetal - Organoheterocyclic compound - Polyol - Ether - Oxacycle - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Amine - Primary amine - Aldehyde - Primary aliphatic amine - 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