Compound Identification
SMILES
COC1=CC=CC2=C1C(=O)C1=C(C(O)=C3C[C@](O)(C[C@H](OC4CC(C(O)C(C)O4)[N+]([O-])(CC4=CC=CC=C4)CC4=CC=CC=C4)C3=C1O)C(C)=O)C2=O
InChIKey
InChIKey=YYEDQXYOGYFXSQ-HUQCEHJHSA-N
Formula
C41H41NO11
Mass
723.775
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 Anthraquinones Hexoses O-glycosyl compounds Tetralins Anisoles Aryl ketones Alkyl aryl ethers Oxanes Benzene and substituted derivatives Vinylogous acids Trialkyl amine oxides Tertiary alcohols Alpha-hydroxy ketones Secondary alcohols Oxacyclic compounds Polyols Acetals Trisubstituted amine oxides and derivatives Hydrocarbon derivatives Organic salts Organic zwitterions Organopnictogen compounds Aldehydes Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Tetralin - Anisole - Aryl ketone - Alkyl aryl ether - Monocyclic benzene moiety - Monosaccharide - Oxane - Benzenoid - Tertiary alcohol - Alpha-hydroxy ketone - Trialkyl amine oxide - Vinylogous acid - Secondary alcohol - Ketone - Polyol - Trisubstituted n-oxide - N-oxide - Organoheterocyclic compound - Ether - Oxacycle - Acetal - Aldehyde - Carbonyl group - Hydrocarbon derivative - Alcohol - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic salt - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic zwitterion - 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