Compound Identification
SMILES
COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C[C@@H]3O[C@@H]3C[C@H](N)[C@H](O)[C@H](C)O3)C(\CO)=N/NC(=O)COC3=C(O)C=C(CN4C(=O)OC5=C4C=C(C)C=C5)C=C3)C=C1C2=O
InChIKey
InChIKey=YTKLYNIAJWXQNR-QXMBFOERSA-N
Formula
C44H44N4O14
Mass
852.85
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 Benzoxazolones Phenoxy compounds Anisoles Aryl ketones 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Oxanes Vinylogous acids Tertiary alcohols Oxazoles Heteroaromatic compounds 1,2-aminoalcohols Amino acids and derivatives Secondary alcohols Azacyclic compounds Oxacyclic compounds Acetals Organopnictogen compounds Primary alcohols Aldehydes Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracyclinone-skeleton - Anthracycline - Aminoglycoside core - Tetracenequinone - 1,4-anthraquinone - 9,10-anthraquinone - Anthracene - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Benzoxazolone - Tetralin - Benzoxazole - Phenoxy compound - Phenol ether - Anisole - Aryl ketone - Amino saccharide - Phenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Oxane - Monosaccharide - Azole - Tertiary alcohol - Vinylogous acid - Oxazole - Heteroaromatic compound - Secondary alcohol - 1,2-aminoalcohol - Amino acid or derivatives - Ketone - Carboxylic acid derivative - Oxacycle - Ether - Organoheterocyclic compound - Acetal - Azacycle - Organic nitrogen compound - Carbonyl group - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Primary alcohol - Primary amine - Hydrocarbon derivative - Organic oxide - Amine - Organopnictogen compound - Aldehyde - Alcohol - Organic oxygen 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