Compound Identification
SMILES
Cl.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)CSC1=CC=CC=N1)C2=O
InChIKey
InChIKey=ULDVEOWGGCTWIV-VXFQRLQWSA-N
Formula
C32H33ClN2O10S
Mass
673.13
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 Anisoles Alkyl aryl ethers Alkylarylthioethers Pyridines and derivatives Oxanes Heteroaromatic compounds Tertiary alcohols Vinylogous acids Alpha-hydroxy ketones Secondary alcohols 1,2-aminoalcohols Sulfenyl compounds Acetals Polyols Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Aldehydes
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 - Alkyl aryl ether - Alkylarylthioether - Amino saccharide - Monosaccharide - Oxane - Benzenoid - Pyridine - Heteroaromatic compound - Alpha-hydroxy ketone - Vinylogous acid - Tertiary alcohol - 1,2-aminoalcohol - Ketone - Secondary alcohol - Acetal - Sulfenyl compound - Azacycle - Organoheterocyclic compound - Thioether - Ether - Polyol - Oxacycle - Primary amine - Carbonyl group - Hydrochloride - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Organonitrogen compound - Organooxygen compound - Aldehyde - Organosulfur compound - Alcohol - 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