Compound Identification
SMILES
Cl.COC1=CC=CC2=C1C(=O)C1=C(C(O)=C3CC(O)(CC(OC4CC(N)C(O)C(C)O4)C3=C1O)C(\C)=N\NC(=O)C1=CC=C(C=C1)C1=CC=CC=C1)C2=O
InChIKey
InChIKey=HXGOMIWIDNPPPN-LCZJMEFLSA-N
Formula
C40H40ClN3O10
Mass
758.22
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 Biphenyls and derivatives Hexoses O-glycosyl compounds Tetralins Benzoic acids and derivatives Benzoyl derivatives Anisoles Aryl ketones Alkyl aryl ethers Oxanes Vinylogous acids Tertiary alcohols Amino acids and derivatives 1,2-aminoalcohols Secondary alcohols Polyols Acetals Oxacyclic compounds Organic oxides Organopnictogen compounds Aldehydes Monoalkylamines Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Aminoglycoside core - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - Biphenyl - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Tetralin - Benzoic acid or derivatives - Anisole - Benzoyl - Aryl ketone - Alkyl aryl ether - Amino saccharide - Oxane - Monocyclic benzene moiety - Benzenoid - Monosaccharide - Vinylogous acid - Tertiary alcohol - Ketone - Secondary alcohol - 1,2-aminoalcohol - Amino acid or derivatives - Polyol - Acetal - Ether - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Hydrochloride - Aldehyde - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Alcohol - Organooxygen compound - Primary aliphatic amine - Primary amine - Organonitrogen compound - Amine - 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