Tetrodotoxin; 6,11-Dideoxy
AlkaPlorer ID: AK315686
Synonym: 6,11-Dideoxytetrodotoxin
IUPAC Name: 3-amino-14-methyl-8,10-dioxa-2,4-diazatetracyclo[7.3.1.17,11.01,6]tetradec-3-ene-5,9,12,13-tetrol
Structure
SMILES: CC1C2OC3(O)OC1C1C(O)NC(=N)NC1(C2O)C3O
InChI: InChI=1S/C11H17N3O6/c1-2-4-3-7(16)13-9(12)14-10(3)6(15)5(2)20-11(18,19-4)8(10)17/h2-8,15-18H,1H3,(H3,12,13,14)
InChIKey: RMAHGNDIHNOZMD-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Takifugu poecilonotus | Takifugu | Tetraodontidae | Tetraodontiformes | Actinopteri | Chordata | Metazoa | Eukaryota |
| Takifugu pardalis | Takifugu | Tetraodontidae | Tetraodontiformes | Actinopteri | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 287.27200000000005
TPSA？: 147.29000000000002
MolLogP？: -3.3974299999999986
Number of H-Donors: 7
Number of H-Acceptors: 7
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|