Compound Identification
SMILES
Cl.Cl.C[C@@H]1O[C@H](C[C@H](NCC2=CC=C(N)C=C2)[C@@H]1O)O[C@H]1C[C@@](O)(CC2=C(O)C3=C(C(O)=C12)C(=O)C1=CC=CC=C1C3=O)C(C)=O
InChIKey
InChIKey=MJFGKVLZWRUZKY-GDOSIRODSA-N
Formula
C33H36Cl2N2O9
Mass
675.56
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 Aniline and substituted anilines Aryl ketones Benzylamines Phenylmethylamines Aralkylamines Oxanes Primary aromatic amines Alpha-hydroxy ketones Vinylogous acids Tertiary alcohols 1,2-aminoalcohols Secondary alcohols Polyols Oxacyclic compounds Dialkylamines Acetals Hydrochlorides Hydrocarbon derivatives Organic oxides Aldehydes Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Aminoglycoside core - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - Hexose monosaccharide - O-glycosyl compound - Glycosyl compound - Tetralin - Benzylamine - Aryl ketone - Phenylmethylamine - Aniline or substituted anilines - Amino saccharide - Aralkylamine - Monocyclic benzene moiety - Monosaccharide - Benzenoid - Oxane - Primary aromatic amine - Tertiary alcohol - Alpha-hydroxy ketone - Vinylogous acid - Secondary alcohol - 1,2-aminoalcohol - Ketone - Acetal - Polyol - Organoheterocyclic compound - Secondary aliphatic amine - Oxacycle - Secondary amine - Organonitrogen compound - Hydrochloride - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Organooxygen compound - Primary amine - Aldehyde - 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