Compound Identification
SMILES
COC1=CC=CC2=C1C(=O)C1=C(C(O)C3C[C@](O)(C[C@H](OC4CC(N)C(O)C(C)O4)C3C1O)C(=O)CO)C2=O
InChIKey
InChIKey=NMNGSTXLHKLQOA-RDIUERSDSA-N
Formula
C27H33NO11
Mass
547.557
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 Naphthalenes Anisoles Aryl ketones Quinones Alkyl aryl ethers Oxanes Alpha-hydroxy ketones Tertiary alcohols Cyclic alcohols and derivatives Secondary alcohols 1,2-aminoalcohols Acetals Polyols Oxacyclic compounds Hydrocarbon derivatives Primary alcohols Organic oxides Organopnictogen compounds Monoalkylamines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Aminoglycoside core - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Naphthalene - Aryl ketone - Quinone - Anisole - Amino saccharide - Alkyl aryl ether - Benzenoid - Monosaccharide - Oxane - Cyclic alcohol - Tertiary alcohol - Alpha-hydroxy ketone - Secondary alcohol - Ketone - 1,2-aminoalcohol - Organoheterocyclic compound - Oxacycle - Ether - Acetal - Polyol - Organic oxide - Primary aliphatic amine - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Primary alcohol - Organic nitrogen compound - Amine - Primary amine - Organopnictogen compound - Alcohol - Hydrocarbon derivative - 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