Tetrodotoxin; 6-Epimer
AlkaPlorer ID: AK315680
Synonym: 6-Epitetrodotoxin
IUPAC Name: 3-amino-14-(hydroxymethyl)-8,10-dioxa-2-aza-4-azoniatetracyclo[7.3.1.17,11.01,6]tetradec-3-ene-5,9,12,13,14-pentol
Structure
SMILES: [NH2+]=C1NC(O)C2C3OC4(O)OC(C(O)C2(N1)C4O)C3(O)CO
InChI: InChI=1S/C11H17N3O8/c12-8-13-6(17)2-4-9(19,1-15)5-3(16)10(2,14-8)7(18)11(20,21-4)22-5/h2-7,15-20H,1H2,(H3,12,13,14)/p+1
InChIKey: CFMYXEVWODSLAX-UHFFFAOYSA-O
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cynops ensicauda | Cynops | Salamandridae | Caudata | Amphibia | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 320.2780000000001
TPSA？: 189.49
MolLogP？: -7.129799999999994
Number of H-Donors: 9
Number of H-Acceptors: 8
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|