Saxitoxin
AlkaPlorer ID: AK312992
Synonym: STX
IUPAC Name: (2,6-diamino-10,10-dihydroxy-1,3a,4,5,8,9-hexahydropyrrolo[1,2-c]purine-3,7-diium-4-yl)methyl carbamate
Structure
SMILES: NC(=O)OCC1NC(=[NH2+])N2CCC(O)(O)C23NC(=[NH2+])NC13
InChI: InChI=1S/C10H17N7O4/c11-6-15-5-4(3-21-8(13)18)14-7(12)17-2-1-9(19,20)10(5,17)16-6/h4-5,19-20H,1-3H2,(H2,12,14)(H2,13,18)(H3,11,15,16)/p+2
InChIKey: RPQXVSUAYFXFJA-UHFFFAOYSA-P
Reference
COCONUT: CNP0211115.8
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Gonyaulax | Gonyaulacaceae | Gonyaulacales | Dinophyceae | None | None | Eukaryota |
Properties Information
Molecule Weight: 301.307
TPSA？: 183.29
MolLogP？: -7.072
Number of H-Donors: 8
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|