Compound Identification
SMILES
COC1=CC=CC2=C1C(=O)C1=C(C(O)=C3C(CC(N)(CC3=C1O)C(C)O)[C@H]1C[C@H](N)[C@@H](O)[C@@H](C)O1)C2=O
InChIKey
InChIKey=XDYPERZCWQWJOX-VNWAHVRNSA-N
Formula
C27H32N2O8
Mass
512.559
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 Tetralins Anisoles Aryl ketones Alkyl aryl ethers Aralkylamines Phenols Oxanes Vinylogous acids 1,2-aminoalcohols Secondary alcohols Dialkyl ethers Oxacyclic compounds Monoalkylamines Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - Tetralin - Anisole - Phenol ether - Aryl ketone - Aralkylamine - Alkyl aryl ether - Phenol - Benzenoid - Oxane - Vinylogous acid - Secondary alcohol - 1,2-aminoalcohol - Ketone - Organoheterocyclic compound - Ether - Dialkyl ether - Oxacycle - Organonitrogen compound - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Organooxygen compound - Primary amine - 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