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)C3=C1O)C(=O)CNC(=O)OCC1=CC(C)=C(OC(=O)CCOCCOCCO)C(C)=C1)C2=O
InChIKey
InChIKey=RVIWIMQGXSHNFZ-UIWPVYEYSA-N
Formula
C44H52N2O17
Mass
880.897
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 Benzyloxycarbonyls Phenol esters m-Xylenes Aryl ketones Phenoxy compounds Anisoles Alkyl aryl ethers Oxanes Tertiary alcohols Vinylogous acids Carbamate esters Alpha-hydroxy ketones Carboxylic acid esters 1,2-aminoalcohols Secondary alcohols Acetals Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Organopnictogen compounds Organic oxides Primary alcohols Monoalkylamines Hydrocarbon derivatives Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracyclinone-skeleton - Anthracycline - Aminoglycoside core - Tetracenequinone - 1,4-anthraquinone - 9,10-anthraquinone - Anthracene - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Phenol ester - Benzyloxycarbonyl - Tetralin - Xylene - Anisole - Phenoxy compound - Aryl ketone - M-xylene - Alkyl aryl ether - Amino saccharide - Monocyclic benzene moiety - Oxane - Benzenoid - Monosaccharide - Vinylogous acid - Tertiary alcohol - Alpha-hydroxy ketone - Carbamic acid ester - Secondary alcohol - Carboxylic acid ester - 1,2-aminoalcohol - Ketone - Amino acid or derivatives - Ether - Dialkyl ether - Organoheterocyclic compound - Polyol - Acetal - Oxacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Primary alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Primary aliphatic amine - Amine - Organonitrogen compound - Organooxygen compound - Aldehyde - Alcohol - Primary amine - 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