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)CC5=CC=C(N)C=C5)[C@H](O)[C@H](C)O4)C3=C1O)C(=O)CO)C2=O
InChIKey
InChIKey=LDMXDOZAFHRBEB-BPESXHNNSA-N
Formula
C35H36N2O12
Mass
676.675
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 O-glycosyl compounds Tetralins Phenylacetamides Aniline and substituted anilines Anisoles Aryl ketones Alkyl aryl ethers Primary aromatic amines Monosaccharides Oxanes Tertiary alcohols Alpha-hydroxy ketones Vinylogous acids Secondary alcohols Secondary carboxylic acid amides Amino acids and derivatives Acetals Oxacyclic compounds Polyols Organopnictogen compounds Organic oxides Primary alcohols Aldehydes Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - Glycosyl compound - O-glycosyl compound - Tetralin - Phenylacetamide - Anisole - Aniline or substituted anilines - Aryl ketone - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Monosaccharide - Primary aromatic amine - Oxane - Vinylogous acid - Tertiary alcohol - Alpha-hydroxy ketone - Carboxamide group - Ketone - Secondary carboxylic acid amide - Secondary alcohol - Amino acid or derivatives - Oxacycle - Organoheterocyclic compound - Acetal - Carboxylic acid derivative - Ether - Polyol - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Amine - Organooxygen compound - Primary alcohol - Aldehyde - 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