Compound Identification
SMILES
COC1CC(OC2C(C)OC(CC2(C)N=O)OC2C(C)OC(CC2O)OC2C(C)OC(CC2O)O[C@H]2C[C@@](C)(O)[C@H](C(=O)OC)C3=C2C(O)=C2C(=O)C4=C(O)C=C5C(C[C@H]6C[C@@H]([C@H](OC7CC(O)C(OC8CC(C)(N=O)C(OC9CC(O)C(O)C(C)O9)C(C)O8)C(C)O7)[C@]5(C)O6)N(C)C)=C4C(=O)C2=C3)OC(C)C1OC(=O)C(\C)=C\C(O)=O
InChIKey
InChIKey=BYKZIESBUJUBPO-DQCTYACXSA-N
Formula
C80H111N3O34
Mass
1658.755
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
Oligosaccharides Tetracenequinones Anthracenecarboxylic acids Anthraquinones Naphthopyrans Naphthalenecarboxylic acids and derivatives O-glycosyl compounds 2-benzopyrans Tetralins Tricarboxylic acids and derivatives Aryl ketones 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Aralkylamines Fatty acid esters Oxanes Pyrans Methyl esters Tertiary alcohols Enoate esters Vinylogous acids Amino acids Trialkylamines Secondary alcohols Oxacyclic compounds Polyols Propargyl-type 1,3-dipolar organic compounds Acetals C-nitroso compounds Carboxylic acids Dialkyl ethers Organopnictogen compounds Aldehydes Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Oligosaccharide - Tetracenequinone - Anthracene carboxylic acid - Anthracene carboxylic acid or derivatives - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - Naphthopyran - 1-naphthalenecarboxylic acid or derivatives - Glycosyl compound - O-glycosyl compound - Benzopyran - Isochromane - Tetralin - 2-benzopyran - Tricarboxylic acid or derivatives - Aryl ketone - 1-hydroxy-2-unsubstituted benzenoid - Fatty acid ester - 1-hydroxy-4-unsubstituted benzenoid - Aralkylamine - Fatty acyl - Benzenoid - Oxane - Pyran - Tertiary alcohol - Alpha,beta-unsaturated carboxylic ester - Vinylogous acid - Enoate ester - Methyl ester - Secondary alcohol - Ketone - Carboxylic acid ester - Amino acid - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Acetal - Organic nitroso compound - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - C-nitroso compound - Carboxylic acid derivative - Polyol - Carboxylic acid - Dialkyl ether - Ether - Alcohol - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aldehyde - Amine - Organooxygen compound - Organonitrogen 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