Tetrodotoxin; 6-Deoxy
AlkaPlorer ID: AK315683
Synonym: 6-Deoxytetrodotoxin
IUPAC Name: 3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.17,11.01,6]tetradec-3-ene-5,9,12,13-tetrol
Structure
SMILES: N=C1NC(O)C2C3OC4(O)OC(C3CO)C(O)C2(N1)C4O
InChI: InChI=1S/C11H17N3O7/c12-9-13-7(17)3-4-2(1-15)5-6(16)10(3,14-9)8(18)11(19,20-4)21-5/h2-8,15-19H,1H2,(H3,12,13,14)
InChIKey: KGZUAWGZGFJXGH-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Nassarius glans | Nassarius | Nassariidae | Neogastropoda | Gastropoda | Mollusca | Metazoa | Eukaryota |
| Hapalochlaena maculosa | Hapalochlaena | Octopodidae | Octopoda | Cephalopoda | Mollusca | Metazoa | Eukaryota |
| Takifugu pardalis | Takifugu | Tetraodontidae | Tetraodontiformes | Actinopteri | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 303.271
TPSA？: 167.52
MolLogP？: -4.425029999999995
Number of H-Donors: 8
Number of H-Acceptors: 8
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|