Compound Identification
SMILES
COC1=CC=CC2=C1C(=O)C1=C(C(O)=C3CC(O)(CC(OC4CC(N)C(O)C(C)O4)C3=C1O)C(C)=NNC(=O)C1=CC=C(C=C1)C1=CC=CC=C1)C2=O
InChIKey
InChIKey=OBCBEHAZLMSOAD-UHFFFAOYSA-N
Formula
C40H39N3O10
Mass
721.763
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 Anisoles Aryl ketones Benzoyl derivatives Alkyl aryl ethers Oxanes Tertiary alcohols Vinylogous acids 1,2-aminoalcohols Secondary alcohols Amino acids and derivatives Oxacyclic compounds Polyols Acetals Monoalkylamines Organic oxides Organopnictogen compounds Aldehydes Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Aminoglycoside core - Tetracenequinone - 1,4-anthraquinone - 9,10-anthraquinone - Anthracene - Hexose monosaccharide - Biphenyl - O-glycosyl compound - Glycosyl compound - Tetralin - Benzoic acid or derivatives - Aryl ketone - Anisole - Benzoyl - Amino saccharide - Alkyl aryl ether - Oxane - Benzenoid - Monosaccharide - Monocyclic benzene moiety - Vinylogous acid - Tertiary alcohol - Secondary alcohol - Amino acid or derivatives - 1,2-aminoalcohol - Ketone - Polyol - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Acetal - Oxacycle - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Primary amine - Amine - Hydrocarbon derivative - Aldehyde - Alcohol - Organic oxide - 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