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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyridopyrimidines
- Subclass Cylindrospermopsins
-
Class
Pyridopyrimidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridopyrimidines
Subclass
Cylindrospermopsins
Intermediate Tree Nodes
Not available
Direct Parent
Cylindrospermopsins
Alternative Parents
Imidazopyrimidines Sulfuric acid diesters Pyrimidones Sulfuric acid monoesters Pyridines and derivatives Piperidines N-acyl amines Hydropyrimidines Diazinanes Alkyl sulfates Vinylogous amides Imidazolines Imidazolidines Heteroaromatic compounds Dicarboximides Secondary alcohols Organic carbonic acids and derivatives Lactams Guanidines Propargyl-type 1,3-dipolar organic compounds Carboximidamides Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Aromatic alcohols
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