(2S,5S,7S,14R,15R)-14-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-5-methoxy-2,15-dimethyl-18-oxatetracyclo[8.7.1.02,7.011,15]octadeca-1(17),10-diene
| Internal ID | d5d30008-b364-4f3b-9fef-6dc3db28959c |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | (2S,5S,7S,14R,15R)-14-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-5-methoxy-2,15-dimethyl-18-oxatetracyclo[8.7.1.02,7.011,15]octadeca-1(17),10-diene |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H50O2/c1-8-22(20(2)3)10-9-21(4)25-12-13-26-27-14-11-23-19-24(31-7)15-17-29(23,5)28(32-27)16-18-30(25,26)6/h16,20-25H,8-15,17-19H2,1-7H3/t21-,22+,23+,24+,25-,29+,30-/m1/s1 |
| InChI Key | GCUCQUNFJBMKSJ-FLJDZVPQSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H50O2 |
| Molecular Weight | 442.70 g/mol |
| Exact Mass | 442.381080833 g/mol |
| Topological Polar Surface Area (TPSA) | 18.50 Ų |
| XlogP | 8.80 |
| There are no found synonyms. |
![2D Structure of (2S,5S,7S,14R,15R)-14-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-5-methoxy-2,15-dimethyl-18-oxatetracyclo[8.7.1.02,7.011,15]octadeca-1(17),10-diene](https://plantaedb.com/storage/docs/compounds/2023/11/aeab2ca0-8638-11ee-b4ae-2dd37639a0af.jpg "2D Structure of (2S,5S,7S,14R,15R)-14-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-5-methoxy-2,15-dimethyl-18-oxatetracyclo[8.7.1.02,7.011,15]octadeca-1(17),10-diene")
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.65% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.45% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.05% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.37% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.12% | 91.11% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 94.31% | 94.23% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.03% | 98.95% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 92.44% | 94.08% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 92.26% | 97.79% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.32% | 92.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.43% | 95.89% |
| CHEMBL240 | Q12809 | HERG | 86.51% | 89.76% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 85.51% | 89.62% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.57% | 100.00% |
| CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 83.43% | 94.97% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 82.14% | 94.62% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 81.79% | 95.17% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 81.41% | 93.31% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.79% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.30% | 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.
| There are no matching plants. |
| PubChem | 163194997 |
| LOTUS | LTS0236240 |
| wikiData | Q105006472 |