Compound Identification
SMILES
OC[C@]1(O)[C@@H]2O[C@]3(O)O[C@@H]1[C@@H](O)[C@]14NC(=N)N[C@@H](OC31)C24
InChIKey
InChIKey=STNXQECXKDMLJK-VIYXOGNISA-N
Formula
C11H15N3O7
Mass
301.255
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Diazanaphthalenes
-
Subclass
Benzodiazines
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Level 5
Quinazolines
- Level 6 Tetrodotoxins
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Level 5
Quinazolines
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Subclass
Benzodiazines
-
Class
Diazanaphthalenes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazanaphthalenes
Subclass
Benzodiazines
Intermediate Tree Nodes
Quinazolines
Direct Parent
Tetrodotoxins
Alternative Parents
Furopyrans 1,4-dioxepanes 1,3-dioxanes Diazinanes Monosaccharides Oxanes Pyrans Tertiary alcohols Furans Tetrahydrofurans Orthocarboxylic acid derivatives Guanidines Cyclic alcohols and derivatives Secondary alcohols Oxacyclic compounds Azacyclic compounds Carboximidamides Polyols Organopnictogen compounds Imines Hydrocarbon derivatives Primary alcohols
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Tetrodotoxin-skeleton - Furopyran - 1,4-dioxepane - Dioxepane - Meta-dioxane - 1,3-diazinane - Monosaccharide - Oxane - Pyran - Tertiary alcohol - Cyclic alcohol - Tetrahydrofuran - Furan - Secondary alcohol - Orthocarboxylic acid derivative - Guanidine - Oxacycle - Polyol - Azacycle - Carboximidamide - Primary alcohol - Imine - Organopnictogen compound - Alcohol - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as tetrodotoxins. These are compounds structurally characterized by the presence of the tetrodotoxin skeleton, which is based on 5,7-(epoxymethanooxy)quinazolin-10-olate moiety.
External Descriptors
Not available