Saxitoxin; De(carbamoyloxy)
AlkaPlorer ID: AK049842
Synonym: Decarbamoyloxysaxitoxin
IUPAC Name: 2,6-diamino-4-methyl-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purine-10,10-diol
Structure
SMILES: CC1NC(=N)N2CCC(O)(O)C23NC(=N)NC13
InChI: InChI=1S/C9H16N6O2/c1-4-5-9(14-6(10)13-5)8(16,17)2-3-15(9)7(11)12-4/h4-5,16-17H,2-3H2,1H3,(H2,11,12)(H3,10,13,14)
InChIKey: ICEQSJLPASDDEC-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Gymnodinium catenatum | Gymnodinium | Gymnodiniaceae | Gymnodiniales | Dinophyceae | None | None | Eukaryota |
Properties Information
Molecule Weight: 240.26700000000005
TPSA？: 127.49
MolLogP？: -2.5080599999999977
Number of H-Donors: 7
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|