Compound Identification
SMILES
COC1=CC=CC2=C1C(=O)C1=C(C(O)=C3C[C@](O)(C[C@H](O[C@H]4CC([C@H](O)[C@H](C)O4)N4CCN(CC4)C(=O)OCC4=CC=C(N4C)[N+]([O-])=O)C3=C1O)C(=O)CO)C2=O
InChIKey
InChIKey=MTHAYYAHVRHIAW-CAEVIFBTSA-N
Formula
C38H42N4O15
Mass
794.767
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 Piperazine carboxylic acids Anisoles Aryl ketones Nitroaromatic compounds Alkyl aryl ethers N-alkylpiperazines Oxanes Monosaccharides N-methylpyrroles Alpha-hydroxy ketones Vinylogous acids Carbamate esters Heteroaromatic compounds Tertiary alcohols Secondary alcohols 1,2-aminoalcohols Trialkylamines Azacyclic compounds Oxacyclic compounds Acetals Polyols Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic zwitterions Organopnictogen compounds Aldehydes Primary alcohols Organic salts Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracyclinone-skeleton - Anthracycline - Aminoglycoside core - Tetracenequinone - 1,4-anthraquinone - 9,10-anthraquinone - Anthracene - Glycosyl compound - O-glycosyl compound - Tetralin - Piperazine-1-carboxylic acid - Nitroaromatic compound - Aryl ketone - Anisole - Alkyl aryl ether - N-alkylpiperazine - Amino saccharide - Monosaccharide - N-methylpyrrole - Benzenoid - Oxane - 1,4-diazinane - Piperazine - Substituted pyrrole - Pyrrole - Carbamic acid ester - Alpha-hydroxy ketone - Tertiary alcohol - Heteroaromatic compound - Vinylogous acid - Organic nitro compound - Ketone - C-nitro compound - Tertiary aliphatic amine - 1,2-aminoalcohol - Tertiary amine - Secondary alcohol - Organic oxoazanium - Acetal - Ether - Azacycle - Organic 1,3-dipolar compound - Organoheterocyclic compound - Oxacycle - Propargyl-type 1,3-dipolar organic compound - Polyol - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Primary alcohol - Organic zwitterion - Organic salt - Hydrocarbon derivative - Amine - Organic oxide - Organopnictogen compound - Aldehyde - Alcohol - Organic oxygen 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