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](N)[C@H](O)[C@H](C)O4)C3=C1O)C(\C)=N/N=C1CC(C)(C)N(O)C(C)(C)C1)C2=O
InChIKey
InChIKey=GYPCWHHQAVLMKO-BFPFSNHBSA-N
Formula
C36H47ClN4O10
Mass
731.24
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 Ketazines Alkyl aryl ethers Piperidines Oxanes Tertiary alcohols Vinylogous acids 1,2-aminoalcohols Secondary alcohols N-organohydroxylamines Oxacyclic compounds Acetals Azacyclic compounds Polyols Monoalkylamines Hydrochlorides Hydrocarbon derivatives Aldehydes Organopnictogen compounds 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 - Ketazine - Aryl ketone - Alkyl aryl ether - Amino saccharide - Azine - Monosaccharide - Benzenoid - Oxane - Piperidine - Tertiary alcohol - Vinylogous acid - Secondary alcohol - Ketone - 1,2-aminoalcohol - Polyol - Oxacycle - Acetal - Azacycle - Organoheterocyclic compound - N-organohydroxylamine - Ether - Aldehyde - Hydrochloride - Primary aliphatic amine - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Organonitrogen compound - Primary amine - 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