Compound Identification
SMILES
Cl.COC1=CC=CC2=C1C(=O)C1=C(C(O)=C3C[C@](O)(C[C@H](O[C@H]4C[C@H](NC5CCCCC5)[C@H](O)[C@H](C)O4)C3=C1O)C(C)=O)C2=O
InChIKey
InChIKey=RNGFHXJCATWISP-QJEDGGCPSA-N
Formula
C33H40ClNO10
Mass
646.13
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 Anisoles Aryl ketones Alkyl aryl ethers Cyclohexylamines Oxanes Tertiary alcohols Alpha-hydroxy ketones Vinylogous acids 1,2-aminoalcohols Secondary alcohols Dialkylamines Oxacyclic compounds Polyols Acetals Hydrochlorides Hydrocarbon derivatives Organopnictogen compounds Aldehydes Organic oxides
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 - Anisole - Aryl ketone - Alkyl aryl ether - Cyclohexylamine - Amino saccharide - Oxane - Benzenoid - Monosaccharide - Tertiary alcohol - Vinylogous acid - Alpha-hydroxy ketone - Secondary alcohol - Ketone - 1,2-aminoalcohol - Polyol - Secondary amine - Organoheterocyclic compound - Ether - Secondary aliphatic amine - Acetal - Oxacycle - Alcohol - Hydrochloride - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Aldehyde - 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