Compound Identification
SMILES
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=WFOVEJGXEMWRSR-XCTWYWSCSA-N
Formula
C33H34N2O9
Mass
602.64
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 Phenylmethylamines Aniline and substituted anilines Benzylamines Aryl ketones Aralkylamines Primary aromatic amines Oxanes Alpha-hydroxy ketones Vinylogous acids Tertiary alcohols Secondary alcohols 1,2-aminoalcohols Polyols Acetals Oxacyclic compounds Dialkylamines Organopnictogen compounds Organic oxides 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 - Aniline or substituted anilines - Benzylamine - Aryl ketone - Phenylmethylamine - Aralkylamine - Amino saccharide - Primary aromatic amine - Monocyclic benzene moiety - Oxane - Benzenoid - Monosaccharide - Tertiary alcohol - Vinylogous acid - Alpha-hydroxy ketone - Secondary alcohol - 1,2-aminoalcohol - Ketone - Secondary amine - Organoheterocyclic compound - Secondary aliphatic amine - Oxacycle - Acetal - Polyol - Primary amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Organonitrogen compound - Aldehyde - Alcohol - 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