Compound Identification
SMILES
COC1=CC=CC2=C1C(=O)C1=C(C(O)=C3C[C@](O)(C[C@H](O[C@H]4C[C@H]5[C@@H](OCN6CN5COC5[C@H](C)O[C@H](C[C@H]65)O[C@H]5C[C@@](O)(CC6=C(O)C7=C(C(O)=C56)C(=O)C5=C(C=CC=C5OC)C7=O)C(=O)CO)[C@@H](C)O4)C3=C1O)C(=O)CO)C2=O
InChIKey
InChIKey=LNMUJUHEUYMBOT-QYBNAWRNSA-N
Formula
C57H58N2O22
Mass
1123.083
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 Monosaccharides Oxanes Tertiary alcohols Alpha-hydroxy ketones Vinylogous acids Hemiaminals Acetals Azacyclic compounds Polyols Aminals Oxacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Primary alcohols Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracyclinone-skeleton - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - Tetralin - Anisole - Aryl ketone - Alkyl aryl ether - Monosaccharide - Oxane - Benzenoid - Alpha-hydroxy ketone - Tertiary alcohol - Vinylogous acid - Hemiaminal - Ketone - Acetal - Aminal - Oxacycle - Ether - Polyol - Organoheterocyclic compound - Azacycle - Primary alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic nitrogen compound - Aldehyde - Alcohol - Organic oxygen compound - Organonitrogen compound - Organooxygen 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