Pestalotiopsin K
| Internal ID | 44674847-a7c0-49d2-81cb-cf7285faadf6 |
| Taxonomy | Organoheterocyclic compounds > Oxepanes |
| IUPAC Name | [(1S,4R,5S,6R,7R,8S,11S,13S)-6-hydroxy-7-methoxy-2,2-dimethyl-9-methylidene-12-oxatetracyclo[6.3.2.01,4.05,13]tridecan-11-yl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H26O5/c1-8-6-11(22-9(2)19)18-10(7-17(18,3)4)13-14(20)16(21-5)12(8)15(13)23-18/h10-16,20H,1,6-7H2,2-5H3/t10-,11+,12+,13+,14-,15-,16-,18-/m1/s1 |
| InChI Key | MCQOBBWAJGIGER-IFYUKCEQSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H26O5 |
| Molecular Weight | 322.40 g/mol |
| Exact Mass | 322.17802393 g/mol |
| Topological Polar Surface Area (TPSA) | 65.00 Ų |
| XlogP | 1.20 |
| There are no found synonyms. |
| 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 | 98.27% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.75% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.09% | 85.14% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 91.39% | 83.82% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.07% | 91.19% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.48% | 94.45% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.02% | 92.94% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 84.80% | 92.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.99% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.79% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.44% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.85% | 100.00% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.04% | 97.28% |
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 | 146682246 |
| LOTUS | LTS0208633 |
| wikiData | Q105161373 |