Compound Identification
SMILES
COC1=CC=CC2=C1C(=O)C1=C(C(O)=C3C[C@](O)(C[C@H](O[C@H]4C[C@H](NC(=O)OCC5=CC=C(O[C@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)C=C5)[C@H](O)[C@H](C)O4)C3=C1O)C(C)=O)C2=O
InChIKey
InChIKey=NLHVCALCMDDUFH-HVRVXHFMSA-N
Formula
C41H45NO18
Mass
839.8
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 Phenolic glycosides O-glycosyl compounds Tetralins Benzyloxycarbonyls Aryl ketones Anisoles Phenoxy compounds Alkyl aryl ethers Oxanes Monosaccharides Carbamate esters Tertiary alcohols Vinylogous acids Alpha-hydroxy ketones Secondary alcohols Acetals Polyols Oxacyclic compounds Organopnictogen compounds Primary alcohols Aldehydes Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Phenolic glycoside - Anthracene - Glycosyl compound - O-glycosyl compound - Benzyloxycarbonyl - Tetralin - Phenoxy compound - Anisole - Aryl ketone - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Monosaccharide - Oxane - Tertiary alcohol - Carbamic acid ester - Alpha-hydroxy ketone - Vinylogous acid - Secondary alcohol - Ketone - Polyol - Oxacycle - Ether - Organoheterocyclic compound - Acetal - Organic nitrogen compound - Carbonyl group - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aldehyde - Organonitrogen compound - Organooxygen compound - Primary 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