16-Hydroxydehydro-thyrsiferol
| Internal ID | 67fc4b13-6aac-4ff1-a09f-c9500fc0178a |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (1S,3S)-4-[(2R,4aS,6R,8aR)-2-[(2S,5R)-5-bromo-2,6,6-trimethyloxan-2-yl]-4a-methyl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-6-yl]-1-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]pent-4-ene-1,3-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H51BrO7/c1-18(19(32)17-22(33)28(6)15-12-23(37-28)26(2,3)34)20-9-10-24-29(7,36-20)16-13-25(35-24)30(8)14-11-21(31)27(4,5)38-30/h19-25,32-34H,1,9-17H2,2-8H3/t19-,20+,21+,22-,23+,24+,25+,28+,29-,30-/m0/s1 |
| InChI Key | KTOZPNYVCJGXGK-KBOVLUHGSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C30H51BrO7 |
| Molecular Weight | 603.60 g/mol |
| Exact Mass | 602.28182 g/mol |
| Topological Polar Surface Area (TPSA) | 97.60 Ų |
| XlogP | 3.70 |
| 16-hydroxydehydro-thyrsiferol |
| BDBM50222936 |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.49% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.41% | 91.11% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 95.33% | 96.61% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.40% | 96.09% |
| CHEMBL233 | P35372 | Mu opioid receptor | 91.77% | 97.93% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.59% | 98.95% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 89.58% | 95.69% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.84% | 96.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.61% | 97.09% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 86.94% | 93.04% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.50% | 94.73% |
| CHEMBL2842 | P42345 | Serine/threonine-protein kinase mTOR | 86.47% | 92.78% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 86.42% | 100.00% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 85.44% | 89.05% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 85.23% | 92.29% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 84.40% | 95.71% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 84.01% | 90.93% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.93% | 85.14% |
| CHEMBL1871 | P10275 | Androgen Receptor | 83.82% | 96.43% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.59% | 97.14% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.55% | 95.50% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 83.53% | 98.05% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 83.49% | 92.88% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 82.07% | 98.10% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.69% | 92.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.61% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.60% | 95.89% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 80.33% | 89.63% |
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.
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| There are no matching plants. |
| PubChem | 10326288 |
| LOTUS | LTS0044104 |
| wikiData | Q105145899 |