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(\C)=N/NP(=O)(OC1=CC=CC=C1)N(CCCl)CCCl)C2=O
InChIKey
InChIKey=ITKUNYWQZVWRKO-UQRYWOQMSA-N
Formula
C37H43Cl2N4O11P
Mass
821.64
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 Phenoxy compounds Nitrogen mustard compounds Alkyl aryl ethers Phosphate esters Oxanes Organic phosphoramides Tertiary alcohols Vinylogous acids 1,2-aminoalcohols Secondary alcohols Oxacyclic compounds Acetals Polyols Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives Alkyl chlorides Organic oxides Aldehydes Organochlorides
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 ketone - Anisole - Phenoxy compound - Nitrogen mustard - Amino saccharide - Alkyl aryl ether - Benzenoid - Organic phosphoric acid amide - Monocyclic benzene moiety - Monosaccharide - Organic phosphoric acid derivative - Oxane - Phosphoric acid ester - Vinylogous acid - Tertiary alcohol - 1,2-aminoalcohol - Secondary alcohol - Ketone - Polyol - Acetal - Organoheterocyclic compound - Oxacycle - Ether - Primary amine - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Primary aliphatic amine - Aldehyde - Organic nitrogen compound - Amine - Organochloride - Organonitrogen compound - Organooxygen compound - Alkyl chloride - Alkyl halide - Organohalogen 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