13-(Hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-en-12-ol
| Internal ID | ecd972ea-a2d5-4cef-bca3-706b24906ac5 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | 13-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-en-12-ol |
| SMILES (Canonical) | CC1(CCCC2(C1CCC34C2CC(C(C3)(C=C4)CO)O)C)C |
| SMILES (Isomeric) | CC1(CCCC2(C1CCC34C2CC(C(C3)(C=C4)CO)O)C)C |
| InChI | InChI=1S/C20H32O2/c1-17(2)6-4-7-18(3)14(17)5-8-19-9-10-20(12-19,13-21)16(22)11-15(18)19/h9-10,14-16,21-22H,4-8,11-13H2,1-3H3 |
| InChI Key | LXLWTIXIZLNVDP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H32O2 |
| Molecular Weight | 304.50 g/mol |
| Exact Mass | 304.240230259 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 5.30 |
| There are no found synonyms. |
![2D Structure of 13-(Hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-en-12-ol](https://plantaedb.com/storage/docs/compounds/2023/11/13-hydroxymethyl-559-trimethyltetracyclo11210110049hexadec-14-en-12-ol.jpg "2D Structure of 13-(Hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-en-12-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.21% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.82% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.50% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.63% | 91.11% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.53% | 100.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 88.37% | 95.93% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.94% | 95.89% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.47% | 82.69% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.42% | 98.95% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.00% | 95.50% |
| CHEMBL1871 | P10275 | Androgen Receptor | 81.78% | 96.43% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.12% | 90.17% |
| CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 80.84% | 99.29% |
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.
| Sideritis serrata |
| PubChem | 162920493 |
| LOTUS | LTS0202540 |
| wikiData | Q105158929 |