(1S,2R,4R,5R,9S,10R,13S,14S)-5-(hydroxymethyl)-5,9-dimethyl-13-propan-2-yl-15-oxatetracyclo[8.5.0.01,14.04,9]pentadecan-2-ol
| Internal ID | 7aa82e99-a1a1-44e7-8c59-1aafa538db70 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (1S,2R,4R,5R,9S,10R,13S,14S)-5-(hydroxymethyl)-5,9-dimethyl-13-propan-2-yl-15-oxatetracyclo[8.5.0.01,14.04,9]pentadecan-2-ol |
| SMILES (Canonical) | CC(C)C1CCC2C3(CCCC(C3CC(C24C1O4)O)(C)CO)C |
| SMILES (Isomeric) | CC(C)[C@@H]1CC[C@@H]2[C@]3(CCC[C@@]([C@@H]3C[C@H]([C@]24[C@H]1O4)O)(C)CO)C |
| InChI | InChI=1S/C20H34O3/c1-12(2)13-6-7-14-19(4)9-5-8-18(3,11-21)15(19)10-16(22)20(14)17(13)23-20/h12-17,21-22H,5-11H2,1-4H3/t13-,14+,15-,16+,17-,18-,19+,20-/m0/s1 |
| InChI Key | LVWJZWMRYQUCJE-XPZISPLRSA-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) | 53.00 Ų |
| XlogP | 3.70 |
| There are no found synonyms. |
![2D Structure of (1S,2R,4R,5R,9S,10R,13S,14S)-5-(hydroxymethyl)-5,9-dimethyl-13-propan-2-yl-15-oxatetracyclo[8.5.0.01,14.04,9]pentadecan-2-ol](https://plantaedb.com/storage/docs/compounds/2023/11/9ca21a00-855e-11ee-99dc-09365dd64c20.jpg "2D Structure of (1S,2R,4R,5R,9S,10R,13S,14S)-5-(hydroxymethyl)-5,9-dimethyl-13-propan-2-yl-15-oxatetracyclo[8.5.0.01,14.04,9]pentadecan-2-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 | 94.25% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.22% | 96.09% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 91.52% | 98.03% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 89.61% | 95.93% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.49% | 94.45% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 88.27% | 96.61% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.15% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.06% | 92.62% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.36% | 91.11% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 87.32% | 95.50% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 86.44% | 95.38% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.90% | 97.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 85.51% | 97.79% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 85.21% | 98.10% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 84.35% | 100.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.29% | 90.17% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.05% | 100.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 82.73% | 90.08% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.50% | 96.77% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.30% | 98.95% |
| CHEMBL268 | P43235 | Cathepsin K | 81.17% | 96.85% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.01% | 93.04% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 80.82% | 97.47% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 80.08% | 98.05% |
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.
| Nepeta teydea |
| PubChem | 101938887 |
| LOTUS | LTS0094811 |
| wikiData | Q105158105 |