Trichotoxin B
| Internal ID | daad02ad-b8a2-4b58-8da4-e6dd88d8c8cc |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Secondary alcohols |
| IUPAC Name | (4R,5E,7S,10Z)-10-(chloromethylidene)-5,7-dimethylheptadeca-1,5-dien-16-yn-4-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H31ClO/c1-5-7-8-9-10-12-19(16-21)14-13-17(3)15-18(4)20(22)11-6-2/h1,6,15-17,20,22H,2,7-14H2,3-4H3/b18-15+,19-16-/t17-,20+/m0/s1 |
| InChI Key | WKRSVZWXGDTWNJ-UELXYIEESA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C20H31ClO |
| Molecular Weight | 322.90 g/mol |
| Exact Mass | 322.2063433 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 7.10 |
| DTXSID001186914 |
| 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 |
|---|---|---|---|---|
| CHEMBL242 | Q92731 | Estrogen receptor beta | 94.61% | 98.35% |
| CHEMBL1829 | O15379 | Histone deacetylase 3 | 92.96% | 95.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.35% | 91.49% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.66% | 90.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.65% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.89% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.62% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.14% | 99.17% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 89.79% | 87.45% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 89.54% | 89.34% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 88.08% | 92.29% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 88.07% | 95.17% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 87.87% | 97.79% |
| CHEMBL240 | Q12809 | HERG | 87.86% | 89.76% |
| CHEMBL203 | P00533 | Epidermal growth factor receptor erbB1 | 87.34% | 97.34% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 87.29% | 92.51% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 86.32% | 92.86% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.24% | 94.73% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 85.66% | 97.29% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 85.46% | 98.75% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 83.18% | 93.10% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 82.86% | 97.64% |
| CHEMBL3837 | P07711 | Cathepsin L | 82.32% | 96.61% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.43% | 93.56% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.43% | 95.89% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.33% | 96.00% |
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 | 132851225 |
| LOTUS | LTS0196005 |
| wikiData | Q105307657 |