Compound Identification
SMILES
COC1=CC=C(C=C1)C(OCC(=O)C1(O)CC(OC2CC(OC(C)=O)C(OC(C)=O)C(C)O2)C2=C(O)C3=C(C(O)=C2C1)C(=O)C1=C(C(OC)=CC=C1)C3=O)(C1=CC=CC=C1)C1=CC=CC=C1
InChIKey
InChIKey=UACGDLTZKOJLJL-UHFFFAOYSA-N
Formula
C51H48O15
Mass
900.93
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 Triphenyl compounds Anthraquinones O-glycosyl compounds Tetralins Benzylethers Anisoles Phenoxy compounds Aryl ketones Methoxybenzenes Alkyl aryl ethers Oxanes Dicarboxylic acids and derivatives Monosaccharides Vinylogous acids Tertiary alcohols Alpha-hydroxy ketones Carboxylic acid esters Dialkyl ethers Oxacyclic compounds Acetals Polyols Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracyclinone-skeleton - Anthracycline - Tetracenequinone - Triphenyl compound - 1,4-anthraquinone - 9,10-anthraquinone - Anthracene - Glycosyl compound - O-glycosyl compound - Tetralin - Benzylether - Aryl ketone - Anisole - Phenol ether - Phenoxy compound - Methoxybenzene - Alkyl aryl ether - Benzenoid - Oxane - Dicarboxylic acid or derivatives - Monosaccharide - Monocyclic benzene moiety - Tertiary alcohol - Alpha-hydroxy ketone - Vinylogous acid - Ketone - Carboxylic acid ester - Dialkyl ether - Ether - Acetal - Polyol - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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