17)16-6/h4-5
AlkaPlorer ID: AK009457
Synonym: 'Saxitoxin', 'STX', '35523-89-8', 'saxitoxin', '35554-08-6'
IUPAC Name: None
Structure
SMILES: N=C(O)OC[C@@H]1NC(=[NH2+])N2CCC(O)(O)[C@@]23NC(=[NH2+])N[C@H]13
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/t4-,5+,10-/m0/s1
InChIKey: RPQXVSUAYFXFJA-LYAQYDMKSA-P
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Gentiana verna | Gentiana | Gentianaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Dianthus chinensis | Dianthus | Caryophyllaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 301.307
TPSA？: 184.28
MolLogP？: -6.65793
Number of H-Donors: 9
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|