(1S,4S,5E,8R,9E,11S)-4,8-dimethyl-14-methylidene-11-propan-2-ylcyclotetradeca-5,9-diene-1,4,8-triol
| Internal ID | 840a2604-cb1d-423b-b446-e25b4482eb11 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Cembrane diterpenoids |
| IUPAC Name | (1S,4S,5E,8R,9E,11S)-4,8-dimethyl-14-methylidene-11-propan-2-ylcyclotetradeca-5,9-diene-1,4,8-triol |
| SMILES (Canonical) | CC(C)C1CCC(=C)C(CCC(C=CCC(C=C1)(C)O)(C)O)O |
| SMILES (Isomeric) | CC(C)[C@@H]\1CCC(=C)[C@H](CC[C@](/C=C/C[C@@](/C=C1)(C)O)(C)O)O |
| InChI | InChI=1S/C20H34O3/c1-15(2)17-8-7-16(3)18(21)10-14-20(5,23)12-6-11-19(4,22)13-9-17/h6,9,12-13,15,17-18,21-23H,3,7-8,10-11,14H2,1-2,4-5H3/b12-6+,13-9+/t17-,18+,19-,20-/m1/s1 |
| InChI Key | RRETUGRLLIPRCF-JZOIXNATSA-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 | 3.20 |
| There are no found synonyms. |
| 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 | 95.78% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.36% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.94% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.79% | 91.11% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.44% | 94.75% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.21% | 100.00% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 88.01% | 96.61% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.72% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.63% | 98.95% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.61% | 93.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.18% | 97.09% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.90% | 100.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.74% | 95.93% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 81.21% | 96.38% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.60% | 90.17% |
| CHEMBL1871 | P10275 | Androgen Receptor | 80.30% | 96.43% |
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.
| Nicotiana tabacum |
| PubChem | 14756640 |
| LOTUS | LTS0154837 |
| wikiData | Q105243979 |