5-(Hydroxymethyl)-5,9,13-trimethyl-15-oxatetracyclo[11.3.1.01,10.04,9]heptadecan-16-ol
| Internal ID | 0de8e4e5-4079-4ccb-9a45-5bf94aba6f0e |
| Taxonomy | Organoheterocyclic compounds > Oxanes |
| IUPAC Name | 5-(hydroxymethyl)-5,9,13-trimethyl-15-oxatetracyclo[11.3.1.01,10.04,9]heptadecan-16-ol |
| SMILES (Canonical) | CC12CCC3C4(CCCC(C4CCC3(C1)C(OC2)O)(C)CO)C |
| SMILES (Isomeric) | CC12CCC3C4(CCCC(C4CCC3(C1)C(OC2)O)(C)CO)C |
| InChI | InChI=1S/C20H34O3/c1-17-9-5-15-19(3)8-4-7-18(2,12-21)14(19)6-10-20(15,11-17)16(22)23-13-17/h14-16,21-22H,4-13H2,1-3H3 |
| InChI Key | PHOZFRBZYSLMKL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H34O3 |
| Molecular Weight | 322.50 g/mol |
| Exact Mass | 322.25079494 g/mol |
| Topological Polar Surface Area (TPSA) | 49.70 Ų |
| XlogP | 4.20 |
| There are no found synonyms. |
![2D Structure of 5-(Hydroxymethyl)-5,9,13-trimethyl-15-oxatetracyclo[11.3.1.01,10.04,9]heptadecan-16-ol](https://plantaedb.com/storage/docs/compounds/2023/11/5-hydroxymethyl-5913-trimethyl-15-oxatetracyclo11310110049heptadecan-16-ol.jpg "2D Structure of 5-(Hydroxymethyl)-5,9,13-trimethyl-15-oxatetracyclo[11.3.1.01,10.04,9]heptadecan-16-ol")
| 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 |
|---|---|---|---|---|
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.60% | 97.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 93.81% | 95.93% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.18% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.76% | 96.09% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 90.74% | 98.10% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.36% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.27% | 98.95% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 88.31% | 95.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.17% | 94.45% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.61% | 92.94% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 86.05% | 95.38% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.91% | 94.75% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 82.70% | 96.38% |
| CHEMBL204 | P00734 | Thrombin | 82.66% | 96.01% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.53% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.38% | 100.00% |
| CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 82.25% | 99.29% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 81.79% | 96.61% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.63% | 92.62% |
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.
| Polycalymma stuartii |
| PubChem | 162849037 |
| LOTUS | LTS0053166 |
| wikiData | Q105209137 |