(1R,4R,9S,10R,14R)-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-3,14-diol
| Internal ID | ed00f1fe-3d67-43f1-8fb4-92ede783faed |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
| IUPAC Name | (1R,4R,9S,10R,14R)-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-3,14-diol |
| SMILES (Canonical) | CC1(CCCC2(C1C(CC34C2CCC(C3)C(C4)(CO)O)O)C)C |
| SMILES (Isomeric) | C[C@@]12CCCC([C@H]1C(C[C@]34[C@H]2CCC(C3)[C@](C4)(CO)O)O)(C)C |
| InChI | InChI=1S/C20H34O3/c1-17(2)7-4-8-18(3)15-6-5-13-9-19(15,10-14(22)16(17)18)11-20(13,23)12-21/h13-16,21-23H,4-12H2,1-3H3/t13?,14?,15-,16+,18-,19+,20-/m0/s1 |
| InChI Key | NRRPVTKXJHEKLP-RJYAXXMKSA-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) | 60.70 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
![2D Structure of (1R,4R,9S,10R,14R)-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-3,14-diol](https://plantaedb.com/storage/docs/compounds/2023/11/ed7a7940-85fd-11ee-900f-9bea75e29cb7.jpg "2D Structure of (1R,4R,9S,10R,14R)-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-3,14-diol")
| 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 | 96.46% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.34% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.83% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.80% | 97.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 89.43% | 95.93% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 87.30% | 95.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.05% | 95.89% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.39% | 82.69% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.09% | 98.95% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 84.97% | 100.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 82.43% | 93.99% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.35% | 100.00% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 81.95% | 95.38% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 81.90% | 83.82% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.63% | 96.77% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.04% | 100.00% |
| CHEMBL2815 | P04629 | Nerve growth factor receptor Trk-A | 80.53% | 87.16% |
| CHEMBL4370 | P16662 | UDP-glucuronosyltransferase 2B7 | 80.26% | 100.00% |
| CHEMBL5555 | O00767 | Acyl-CoA desaturase | 80.21% | 97.50% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.06% | 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.
| Calibrachoa parviflora |
| PubChem | 137705580 |
| LOTUS | LTS0206092 |
| wikiData | Q104401803 |