Tetrodotoxin; 11-Hydroxy
AlkaPlorer ID: AK315687
Synonym: 11-Hydroxytetrodotoxin, 11-Oxotetrodotoxin
IUPAC Name: 3-amino-14-(dihydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.17,11.01,6]tetradec-3-ene-5,9,12,13,14-pentol
Structure
SMILES: NC1=NC(O)C2C3OC4(O)OC(C(O)C2(N1)C4O)C3(O)C(O)O
InChI: InChI=1S/C11H17N3O9/c12-8-13-5(16)1-3-10(20,7(18)19)4-2(15)9(1,14-8)6(17)11(21,22-3)23-4/h1-7,15-21H,(H3,12,13,14)
InChIKey: FPIMGHUQQSRSTB-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Arothron nigropunctatus | Arothron | Tetraodontidae | Tetraodontiformes | Actinopteri | Chordata | Metazoa | Eukaryota |
| Atergatis floridus | Atergatis | Xanthidae | Decapoda | Malacostraca | Arthropoda | Metazoa | Eukaryota |
| Brachycephalus ephippium | Brachycephalus | Brachycephalidae | Anura | Amphibia | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 335.26900000000006
TPSA？: 210.48
MolLogP？: -6.201399999999994
Number of H-Donors: 9
Number of H-Acceptors: 12
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|