Structure Information
Structure

Compound Identification

SMILES

CC1C2CN=C3NC(CC(CC1OS(=O)(=O)OCC1C4CNC5=NC(CC(CC1OS(O)(=O)=O)N45)C(O)C1=CC(=O)NC(=O)N1)N23)C(O)C1=CC(=O)NC(=O)N1

InChIKey

InChIKey=HYNGBYPGCGIEPA-UHFFFAOYSA-N

Formula

C30H40N10O14S2

Mass

828.83

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pyridopyrimidines

Subclass

Cylindrospermopsins

Intermediate Tree Nodes

Not available

Direct Parent

Cylindrospermopsins

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cylindrospermopsin-skeleton - Imidazopyrimidine - Sulfuric acid diester - Pyrimidone - Sulfuric acid ester - Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - Pyrimidine - Pyridine - Piperidine - N-acyl-amine - 1,2,3,4-tetrahydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Hydropyrimidine - 1,3-diazinane - Heteroaromatic compound - Vinylogous amide - Organic sulfuric acid or derivatives - 2-imidazoline - Imidazolidine - Dicarboximide - Secondary alcohol - Carbonic acid derivative - Lactam - Guanidine - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as cylindrospermopsins. These are compounds containing a cylindrospermopsin moiety, which contains a triazaacenaphthylene moiety linked to a pyrimidinedione.

External Descriptors

Not available

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