Compound Identification
SMILES
COC1=CC=CC2=C1C(=O)C1=C(C(O)=C3C[C@@](O)(C[C@H](O[C@H]4C[C@H]([C@H](O)[C@@H](C)O4)N(CC4=CC=CC=C4)CC4=CC=CC=C4)C3=C1O)C(C)=O)C2=O
InChIKey
InChIKey=VUEZAPSQNPGLMR-PGSLXCGXSA-N
Formula
C41H41NO10
Mass
707.776
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 Benzylamines Phenylmethylamines Aralkylamines Alkyl aryl ethers Oxanes Tertiary alcohols Vinylogous acids Alpha-hydroxy ketones Secondary alcohols Trialkylamines 1,2-aminoalcohols Acetals Oxacyclic compounds Polyols 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 - Benzylamine - Anisole - Phenylmethylamine - Aryl ketone - Amino saccharide - Aralkylamine - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Monosaccharide - Oxane - Alpha-hydroxy ketone - Vinylogous acid - Tertiary alcohol - 1,2-aminoalcohol - Ketone - Tertiary amine - Tertiary aliphatic amine - Secondary alcohol - Organoheterocyclic compound - Polyol - Acetal - Oxacycle - Ether - Organic oxide - Organopnictogen compound - Organic oxygen compound - Alcohol - Organic nitrogen compound - Amine - Organonitrogen compound - Hydrocarbon derivative - Aldehyde - Organooxygen compound - Carbonyl group - 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