Compound Identification
SMILES
CCCC(=O)OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](NCC3=CC=CC=C3)C(O)C(C)O2)C2=C(O)C3=C(C(O)=C2C1)C(=O)C1=C(C3=O)C(OC)=CC=C1
InChIKey
InChIKey=NVHSIZLTMWZYJO-DHWUSGJCSA-N
Formula
C38H41NO12
Mass
703.741
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 Phenylmethylamines Benzylamines Alkyl aryl ethers Alpha-acyloxy ketones Aralkylamines Fatty acid esters Oxanes Alpha-hydroxy ketones Vinylogous acids Tertiary alcohols Secondary alcohols Amino acids and derivatives Carboxylic acid esters 1,2-aminoalcohols Oxacyclic compounds Polyols Monocarboxylic acids and derivatives Acetals Dialkylamines Aldehydes Organopnictogen compounds Organic oxides Hydrocarbon derivatives
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 - Anisole - Benzylamine - Aryl ketone - Phenylmethylamine - Alkyl aryl ether - Aralkylamine - Fatty acid ester - Alpha-acyloxy ketone - Amino saccharide - Benzenoid - Oxane - Monosaccharide - Fatty acyl - Monocyclic benzene moiety - Tertiary alcohol - Alpha-hydroxy ketone - Vinylogous acid - 1,2-aminoalcohol - Secondary alcohol - Ketone - Amino acid or derivatives - Carboxylic acid ester - Secondary amine - Polyol - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Oxacycle - Ether - Acetal - Carboxylic acid derivative - Secondary aliphatic amine - Organic oxide - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Alcohol - Organooxygen compound - Amine - Carbonyl group - Aldehyde - Organic nitrogen 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