Compound Identification
SMILES
COC1=CC=CC2=C1C(=O)C1=C(C(O)=C3C[C@](O)(C[C@H](O[C@H]4C[C@H](N)[C@H](O)[C@H](C)O4)C3=C1O)C(=O)CSC1=CC=CC=C1)C2=O
InChIKey
InChIKey=WXRBTXBZCINPCH-PLKJNFEUSA-N
Formula
C33H33NO10S
Mass
635.68
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 Aryl ketones Thiophenol ethers Anisoles Alkyl aryl ethers Alkylarylthioethers Benzene and substituted derivatives Oxanes Tertiary alcohols Vinylogous acids Alpha-hydroxy ketones Secondary alcohols 1,2-aminoalcohols Sulfenyl compounds Acetals Polyols Oxacyclic compounds Aldehydes Organopnictogen compounds 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 thioether - Anisole - Aryl ketone - Thiophenol ether - Alkyl aryl ether - Alkylarylthioether - Amino saccharide - Monocyclic benzene moiety - Monosaccharide - Benzenoid - Oxane - Vinylogous acid - Alpha-hydroxy ketone - Tertiary alcohol - 1,2-aminoalcohol - Ketone - Secondary alcohol - Sulfenyl compound - Ether - Organoheterocyclic compound - Oxacycle - Acetal - Polyol - Thioether - Primary amine - Carbonyl group - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Organonitrogen compound - Organooxygen compound - Aldehyde - Alcohol - Organosulfur 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