(1S,2E,5R,6E,8S,11Z)-1,5,11-trimethyl-8-propan-2-ylcyclotetradeca-2,6,11-triene-1,5-diol
| Internal ID | 0e42bcd0-78ab-4128-810b-b1ee1b301dec |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Cembrane diterpenoids |
| IUPAC Name | (1S,2E,5R,6E,8S,11Z)-1,5,11-trimethyl-8-propan-2-ylcyclotetradeca-2,6,11-triene-1,5-diol |
| SMILES (Canonical) | CC1=CCCC(C=CCC(C=CC(CC1)C(C)C)(C)O)(C)O |
| SMILES (Isomeric) | C/C/1=C/CC[C@](/C=C/C[C@@](/C=C/[C@@H](CC1)C(C)C)(C)O)(C)O |
| InChI | InChI=1S/C20H34O2/c1-16(2)18-10-9-17(3)8-6-12-19(4,21)13-7-14-20(5,22)15-11-18/h7-8,11,13,15-16,18,21-22H,6,9-10,12,14H2,1-5H3/b13-7+,15-11+,17-8-/t18-,19+,20-/m1/s1 |
| InChI Key | AOQMWFKDNPIGHO-UCLSQTDZSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H34O2 |
| Molecular Weight | 306.50 g/mol |
| Exact Mass | 306.255880323 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 4.20 |
| 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 | 98.30% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.78% | 96.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 93.55% | 96.61% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.45% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.81% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.43% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.06% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.34% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.20% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.16% | 94.45% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 83.28% | 92.51% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.36% | 94.75% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 82.30% | 96.38% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.12% | 89.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.66% | 96.47% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.08% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.39% | 93.56% |
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 | 163068397 |
| LOTUS | LTS0192998 |
| wikiData | Q104915886 |