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(CO)=NNC(=O)C1=CC=CC=C1)C2=O
InChIKey
InChIKey=XDNAVLSPJZBWSC-UHFFFAOYSA-N
Formula
C34H35N3O11
Mass
661.664
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 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 Acetals Polyols Oxacyclic compounds Organopnictogen compounds Aldehydes Primary alcohols Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Aminoglycoside core - Tetracenequinone - 1,4-anthraquinone - 9,10-anthraquinone - Anthracene - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Tetralin - Benzoic acid or derivatives - Benzoyl - Anisole - Aryl ketone - Alkyl aryl ether - Amino saccharide - Monocyclic benzene moiety - Oxane - Benzenoid - Monosaccharide - Tertiary alcohol - Vinylogous acid - Secondary alcohol - Amino acid or derivatives - 1,2-aminoalcohol - Ketone - Ether - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Acetal - Polyol - Organopnictogen compound - Primary aliphatic amine - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary alcohol - 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