Compound Identification
SMILES
COC1=CC=CC2=C1C(=O)C1=C(C(O)=C3CC(O)(C[C@H](OC4C[C@H](N=CN5CCCCCC5)C(O)C(C)O4)C3=C1O)C(C)=O)C2=O
InChIKey
InChIKey=ADHNULHGHNJHNN-GWYPKCKVSA-N
Formula
C34H40N2O10
Mass
636.698
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 Anthraquinones Hexoses O-glycosyl compounds Tetralins Anisoles Aryl ketones Alkyl aryl ethers Azepanes Oxanes Vinylogous acids Tertiary alcohols Alpha-hydroxy ketones Secondary alcohols Acetals Propargyl-type 1,3-dipolar organic compounds Polyols Oxacyclic compounds Formamidines Carboximidamides Carboxamidines Azacyclic compounds Hydrocarbon derivatives Organopnictogen compounds Organic oxides Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracyclinone-skeleton - Anthracycline - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - Hexose monosaccharide - O-glycosyl compound - Glycosyl compound - Tetralin - Anisole - Aryl ketone - Alkyl aryl ether - Azepane - Oxane - Monosaccharide - Benzenoid - Alpha-hydroxy ketone - Tertiary alcohol - Vinylogous acid - Ketone - Secondary alcohol - Acetal - Formamidine - Amidine - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid amidine - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Polyol - Aldehyde - Carbonyl group - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Alcohol - 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