Compound Identification
SMILES
COC1=CC=CC2=C1C(=O)C1=C(C(O)=C3C[C@](O)(C[C@H](OC4CC(NC(=O)CCCC(=O)NCCC(=O)O[C@@H]5C[C@@H]6OC[C@]6(OC(C)=O)C6[C@@H](OC(=O)C7=CC=CC=C7)[C@@]7(O)C[C@@H](OC(=O)[C@@H](O)[C@H](NC(=O)C8=CC=CC=C8)C8=CC=CC=C8)C(C)=C([C@H](OC(C)=O)C(=O)[C@@]56C)C7(C)C)C(O)C(C)O4)C3=C1O)C(C)=O)C2=O
InChIKey
InChIKey=HXMWJUFLFBZXAO-JJOFBTFZSA-N
Formula
C82H89N3O27
Mass
1548.608
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
Diterpene glycosides Taxanes and derivatives Tetracenequinones N-benzylbenzamides Anthraquinones Pentacarboxylic acids and derivatives Hexoses Beta amino acids and derivatives O-glycosyl compounds Benzoic acid esters Tetralins Anisoles Aryl ketones Benzoyl derivatives Alpha-acyloxy ketones Alkyl aryl ethers Fatty acid esters Oxanes N-acyl amines Alpha-hydroxy ketones Tertiary alcohols Vinylogous acids Cyclic alcohols and derivatives Carboxylic acid esters Oxetanes Secondary alcohols Secondary carboxylic acid amides Dialkyl ethers Oxacyclic compounds Acetals Polyols Organic oxides Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Diterpene glycoside - Taxane diterpenoid - Tetracenequinone - Diterpenoid - Terpene glycoside - Pentacarboxylic acid or derivatives - N-benzylbenzamide - 1,4-anthraquinone - 9,10-anthraquinone - Anthracene - Hexose monosaccharide - Beta amino acid or derivatives - Glycosyl compound - O-glycosyl compound - Benzoate ester - Tetralin - Benzoic acid or derivatives - Benzamide - Anisole - Benzoyl - Aryl ketone - Fatty acid ester - Alkyl aryl ether - Alpha-acyloxy ketone - Oxane - Monocyclic benzene moiety - Fatty acyl - N-acyl-amine - Monosaccharide - Benzenoid - Fatty amide - Alpha-hydroxy ketone - Vinylogous acid - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Oxetane - Secondary carboxylic acid amide - Ketone - Carboxamide group - Carboxylic acid ester - Dialkyl ether - Ether - Organoheterocyclic compound - Polyol - Carboxylic acid derivative - Oxacycle - Acetal - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organic nitrogen compound - 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