[(1S,4S,5R,9R,10S,13S,14S,16R)-5,9,13-trimethyl-15-oxapentacyclo[11.3.1.01,10.04,9.014,16]heptadecan-5-yl]methanol
| Internal ID | 7fc10ca0-afa1-4680-971f-5a967cdf7f25 |
| Taxonomy | Organoheterocyclic compounds > Oxanes |
| IUPAC Name | [(1S,4S,5R,9R,10S,13S,14S,16R)-5,9,13-trimethyl-15-oxapentacyclo[11.3.1.01,10.04,9.014,16]heptadecan-5-yl]methanol |
| SMILES (Canonical) | CC12CCC3C4(CCCC(C4CCC3(C1)C5C2O5)(C)CO)C |
| SMILES (Isomeric) | C[C@]12CC[C@H]3[C@@]4(CCC[C@@]([C@H]4CC[C@@]3(C1)[C@@H]5[C@H]2O5)(C)CO)C |
| InChI | InChI=1S/C20H32O2/c1-17-9-5-14-19(3)8-4-7-18(2,12-21)13(19)6-10-20(14,11-17)16-15(17)22-16/h13-16,21H,4-12H2,1-3H3/t13-,14+,15-,16+,17+,18+,19-,20+/m1/s1 |
| InChI Key | WWQSLMHDPLEJSY-LZAHKMPMSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H32O2 |
| Molecular Weight | 304.50 g/mol |
| Exact Mass | 304.240230259 g/mol |
| Topological Polar Surface Area (TPSA) | 32.80 Ų |
| XlogP | 4.60 |
| There are no found synonyms. |
![2D Structure of [(1S,4S,5R,9R,10S,13S,14S,16R)-5,9,13-trimethyl-15-oxapentacyclo[11.3.1.01,10.04,9.014,16]heptadecan-5-yl]methanol](https://plantaedb.com/storage/docs/compounds/2023/11/1522f9c0-8648-11ee-9168-d398b8a1f252.jpg "2D Structure of [(1S,4S,5R,9R,10S,13S,14S,16R)-5,9,13-trimethyl-15-oxapentacyclo[11.3.1.01,10.04,9.014,16]heptadecan-5-yl]methanol")
| 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 | 96.81% | 97.25% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 95.56% | 98.10% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.84% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.11% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.45% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.34% | 97.09% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 88.16% | 95.50% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 86.10% | 96.38% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.63% | 95.89% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 84.60% | 93.04% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 84.35% | 96.77% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.00% | 92.94% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.13% | 92.62% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 80.81% | 96.61% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.51% | 100.00% |
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.
| Baccharis tola |
| PubChem | 155514811 |
| LOTUS | LTS0197000 |
| wikiData | Q105314222 |