Compound Identification
SMILES
Cl.COC1=CC=CC2=C1C(=O)C1=C(C(O)=C3C[C@](O)(C[C@@H](OC4CC(N)C(OC5CCCCO5)C(C)O4)C3=C1O)C(=O)CO)C2=O
InChIKey
InChIKey=ZPHYPKKFSHAVOE-QEMCSTOTSA-N
Formula
C32H38ClNO12
Mass
664.1
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 O-glycosyl compounds Tetralins Anisoles Aryl ketones Alkyl aryl ethers Oxanes Monosaccharides Tertiary alcohols Alpha-hydroxy ketones Vinylogous acids Oxacyclic compounds Acetals Polyols Aldehydes Monoalkylamines Hydrochlorides Hydrocarbon derivatives Primary alcohols Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Aminoglycoside core - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - Glycosyl compound - O-glycosyl compound - Tetralin - Anisole - Aryl ketone - Alkyl aryl ether - Amino saccharide - Monosaccharide - Benzenoid - Oxane - Tertiary alcohol - Alpha-hydroxy ketone - Vinylogous acid - Ketone - Polyol - Oxacycle - Organoheterocyclic compound - Acetal - Ether - Aldehyde - Primary aliphatic amine - Carbonyl group - Alcohol - Hydrochloride - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Organooxygen compound - Organic nitrogen compound - Primary alcohol - Primary 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