Compound Identification
SMILES
CC\C(=C(\C1=CC=C(OCCN(C)C)C=C1)C1=CC=C(OC(=O)CCCCCCCCCCCCC(=O)N[C@H]2CC(OC3C[C@@](O)(CC4=C(O)C5=C(C(O)=C34)C(=O)C3=C(C=CC=C3OC)C5=O)C(=O)CO)O[C@H](C)[C@H]2O)C=C1)C1=CC=CC=C1
InChIKey
InChIKey=XJMLWFLGCGTMAW-USULGJARSA-N
Formula
C67H80N2O15
Mass
1153.376
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
Stilbene glycosides Tetracenequinones Anthraquinones Diphenylmethanes O-glycosyl compounds Tetralins Phenol esters Phenylpropanes Anisoles Aryl ketones Phenoxy compounds Alkyl aryl ethers Fatty acid esters Oxanes Monosaccharides N-acyl amines Alpha-hydroxy ketones Tertiary alcohols Vinylogous acids Trialkylamines Secondary carboxylic acid amides Secondary alcohols Carboxylic acid esters Amino acids and derivatives Polyols Acetals Monocarboxylic acids and derivatives Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds Aldehydes Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracyclinone-skeleton - Anthracycline - Stilbene glycoside - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Stilbene - Anthracene - Diphenylmethane - Glycosyl compound - O-glycosyl compound - Tetralin - Phenol ester - Phenylpropane - Anisole - Phenoxy compound - Aryl ketone - Phenol ether - Fatty acid ester - Alkyl aryl ether - Fatty acyl - Monocyclic benzene moiety - Fatty amide - Benzenoid - Monosaccharide - N-acyl-amine - Oxane - Vinylogous acid - Tertiary alcohol - Alpha-hydroxy ketone - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Secondary alcohol - Tertiary amine - Ketone - Tertiary aliphatic amine - Secondary carboxylic acid amide - Oxacycle - Carboxylic acid derivative - Polyol - Acetal - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Ether - Organooxygen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Aldehyde - Organic nitrogen compound - Amine - Organonitrogen compound - Primary 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