Toxin B1
| Internal ID | 2ec1ebad-8319-4b46-8651-e599a10cd067 |
| Taxonomy | Phenylpropanoids and polyketides > Saxitoxins, gonyautoxins, and derivatives |
| IUPAC Name | (2,6-diamino-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl)methoxycarbonylsulfamic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C10H17N7O7S/c11-6-14-5-4(3-24-8(18)16-25(21,22)23)13-7(12)17-2-1-9(19,20)10(5,17)15-6/h4-5,19-20H,1-3H2,(H2,12,13)(H,16,18)(H3,11,14,15)(H,21,22,23) |
| InChI Key | JKKCSFJSULZNDN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C10H17N7O7S |
| Molecular Weight | 379.35 g/mol |
| Exact Mass | 379.09101708 g/mol |
| Topological Polar Surface Area (TPSA) | 234.00 Ų |
| XlogP | -5.10 |
| Gonyautoxin-V |
| gonyautoxin-5 |
| (2,6-diamino-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl)methoxycarbonylsulfamic acid |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.53% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.08% | 94.45% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 94.36% | 96.90% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 93.80% | 95.50% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 91.58% | 95.69% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.35% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.91% | 95.56% |
| CHEMBL5028 | O14672 | ADAM10 | 85.62% | 97.50% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 84.76% | 93.03% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.91% | 99.23% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 83.78% | 98.05% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.34% | 94.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.81% | 95.89% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 82.03% | 94.45% |
| CHEMBL2095194 | P08709 | Coagulation factor VII/tissue factor | 80.70% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.64% | 94.00% |
| CHEMBL1952 | P04818 | Thymidylate synthase | 80.53% | 93.53% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 14917387 |
| LOTUS | LTS0063034 |
| wikiData | Q105130290 |