Compound Identification
SMILES
[Cl-].COC1=CC=CC2=CC3=C(C(O)=C12)C(=O)C1=C(C[C@](O)(C[C@@H]1O[C@@H]1C[C@@H]([NH3+])[C@@H](O)[C@@H](C)O1)C(C)=O)C3=O
InChIKey
InChIKey=MQLOAFLOCKQLMX-BYIWVQAZSA-N
Formula
C27H30ClNO9
Mass
547.99
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 Hydroxyanthraquinones Hexoses Naphthols and derivatives O-glycosyl compounds Quinones Aryl ketones Anisoles Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids Oxanes Alpha-hydroxy ketones Vinylogous acids Tertiary alcohols 1,2-aminoalcohols Secondary alcohols Oxacyclic compounds Acetals Hydrocarbon derivatives Monoalkylamines Organic chloride salts Aldehydes Organic oxides Organic zwitterions Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Aminoglycoside core - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Hydroxyanthraquinone - Hexose monosaccharide - Glycosyl compound - 1-naphthol - O-glycosyl compound - Naphthalene - Aryl ketone - Anisole - Quinone - Alkyl aryl ether - Amino saccharide - 1-hydroxy-4-unsubstituted benzenoid - Benzenoid - Oxane - Monosaccharide - Vinylogous acid - Alpha-hydroxy ketone - Tertiary alcohol - Secondary alcohol - 1,2-aminoalcohol - Ketone - Acetal - Oxacycle - Ether - Organoheterocyclic compound - Organooxygen compound - Organic oxide - Aldehyde - Organonitrogen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Primary amine - Organic chloride salt - Organic nitrogen compound - Amine - Alcohol - Organic zwitterion - Hydrocarbon derivative - Organic salt - Primary aliphatic amine - 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