Compound Identification
SMILES
COC1=CC=CC2=C1C(=O)C1=C(C(O)=C3C[C@](O)(C[C@H](OC4CC(N=C(N)CCSSCCC(N)=NC5CC(O[C@H]6C[C@@](O)(CC7=C(O)C8=C(C(O)=C67)C(=O)C6=C(C=CC=C6OC)C8=O)C(C)=O)OC(C)C5O)C(O)C(C)O4)C3=C1O)C(C)=O)C2=O
InChIKey
InChIKey=BGPOORDCRUILQW-JOIIPRQPSA-N
Formula
C60H66N4O20S2
Mass
1227.32
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 O-glycosyl compounds Tetralins Anisoles Aryl ketones Alkyl aryl ethers Oxanes Monosaccharides Alpha-hydroxy ketones Vinylogous acids Tertiary alcohols Secondary alcohols Dialkyldisulfides Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Polyols Oxacyclic compounds Carboximidamides Carboxamidines Acetals Organopnictogen compounds Aldehydes Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracyclinone-skeleton - Anthracycline - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - O-glycosyl compound - Glycosyl compound - Tetralin - Anisole - Aryl ketone - Alkyl aryl ether - Oxane - Benzenoid - Monosaccharide - Alpha-hydroxy ketone - Vinylogous acid - Tertiary alcohol - Secondary alcohol - Dialkyldisulfide - Organic disulfide - Ketone - Acetal - Amidine - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid amidine - Ether - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Carboximidamide - Polyol - Organic oxygen compound - Carbonyl group - Alcohol - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aldehyde - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - 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