Compound Identification
SMILES
COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C=C1C2=O)C(O)[C@](O)(C[C@@H]3O[C@H]1C[C@@H](N)[C@@H](O)[C@H](C)O1)C(C)=O
InChIKey
InChIKey=OOJKXEMHVCCQBB-VSXSTMLYSA-N
Formula
C27H29NO10
Mass
527.526
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 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Oxanes Vinylogous acids Tertiary alcohols Alpha-hydroxy ketones Secondary alcohols 1,2-aminoalcohols Polyols Oxacyclic compounds Acetals Organopnictogen compounds Aldehydes Organic oxides Monoalkylamines Hydrocarbon derivatives
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 - 1-hydroxy-4-unsubstituted benzenoid - Benzenoid - Monosaccharide - Oxane - Vinylogous acid - Alpha-hydroxy ketone - Tertiary alcohol - Ketone - 1,2-aminoalcohol - Secondary alcohol - Polyol - Organoheterocyclic compound - Acetal - Oxacycle - Ether - Primary amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Amine - Primary aliphatic 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