(2R,6R,8R)-5-[4-(3,3-dimethyloxiran-2-yl)-4-hydroxybut-1-en-2-yl]-2,8-dimethyltricyclo[5.3.0.02,6]decan-3-ol
| Internal ID | 8892b624-132b-49dc-bdd5-0f0ff225f832 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Spatane and 4,10-secospatane diterpenoids |
| IUPAC Name | (2R,6R,8R)-5-[4-(3,3-dimethyloxiran-2-yl)-4-hydroxybut-1-en-2-yl]-2,8-dimethyltricyclo[5.3.0.02,6]decan-3-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H32O3/c1-10-6-7-13-16(10)17-12(9-15(22)20(13,17)5)11(2)8-14(21)18-19(3,4)23-18/h10,12-18,21-22H,2,6-9H2,1,3-5H3/t10-,12?,13?,14?,15?,16?,17+,18?,20+/m1/s1 |
| InChI Key | LNMWUFNTMRHVCW-ACOWXHNDSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H32O3 |
| Molecular Weight | 320.50 g/mol |
| Exact Mass | 320.23514488 g/mol |
| Topological Polar Surface Area (TPSA) | 53.00 Ų |
| XlogP | 3.70 |
| There are no found synonyms. |
![2D Structure of (2R,6R,8R)-5-[4-(3,3-dimethyloxiran-2-yl)-4-hydroxybut-1-en-2-yl]-2,8-dimethyltricyclo[5.3.0.02,6]decan-3-ol](https://plantaedb.com/storage/docs/compounds/2023/11/c749b8e0-85ba-11ee-ba84-d9a3ce282604.jpg "2D Structure of (2R,6R,8R)-5-[4-(3,3-dimethyloxiran-2-yl)-4-hydroxybut-1-en-2-yl]-2,8-dimethyltricyclo[5.3.0.02,6]decan-3-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.84% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.15% | 85.14% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.67% | 83.82% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 96.37% | 96.38% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 94.23% | 96.61% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 94.06% | 97.64% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.37% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.93% | 97.09% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 90.25% | 95.89% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.69% | 90.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.77% | 91.11% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 85.63% | 97.31% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.01% | 100.00% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 84.99% | 98.35% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 84.19% | 95.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.83% | 86.33% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 83.40% | 95.93% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.67% | 92.94% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.60% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.91% | 89.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.73% | 97.14% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.26% | 91.19% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.15% | 96.95% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 80.05% | 99.18% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.00% | 93.04% |
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.
| There are no matching plants. |
| PubChem | 163186582 |
| LOTUS | LTS0181063 |
| wikiData | Q105154402 |