14-(5,6-Dimethylhept-3-en-2-yl)-5-hydroxy-2,15-dimethyl-18-oxatetracyclo[8.7.1.02,7.011,15]octadec-9-en-16-one
| Internal ID | ce448b79-7dc1-482b-a2a2-35c432b5991b |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | 14-(5,6-dimethylhept-3-en-2-yl)-5-hydroxy-2,15-dimethyl-18-oxatetracyclo[8.7.1.02,7.011,15]octadec-9-en-16-one |
| SMILES (Canonical) | CC(C)C(C)C=CC(C)C1CCC2C1(C(=O)CC3C4(CCC(CC4CC=C2O3)O)C)C |
| SMILES (Isomeric) | CC(C)C(C)C=CC(C)C1CCC2C1(C(=O)CC3C4(CCC(CC4CC=C2O3)O)C)C |
| InChI | InChI=1S/C28H44O3/c1-17(2)18(3)7-8-19(4)22-10-11-23-24-12-9-20-15-21(29)13-14-27(20,5)26(31-24)16-25(30)28(22,23)6/h7-8,12,17-23,26,29H,9-11,13-16H2,1-6H3 |
| InChI Key | XFCWPFNQLVJSCP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H44O3 |
| Molecular Weight | 428.60 g/mol |
| Exact Mass | 428.32904526 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 6.10 |
| There are no found synonyms. |
![2D Structure of 14-(5,6-Dimethylhept-3-en-2-yl)-5-hydroxy-2,15-dimethyl-18-oxatetracyclo[8.7.1.02,7.011,15]octadec-9-en-16-one](https://plantaedb.com/storage/docs/compounds/2023/11/c3ee9f40-87b9-11ee-934a-bf633df987b9.jpg "2D Structure of 14-(5,6-Dimethylhept-3-en-2-yl)-5-hydroxy-2,15-dimethyl-18-oxatetracyclo[8.7.1.02,7.011,15]octadec-9-en-16-one")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.88% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.98% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.77% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.72% | 97.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 91.49% | 82.69% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 89.92% | 85.31% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.84% | 94.75% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.56% | 93.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.48% | 99.23% |
| CHEMBL5600 | P27448 | Serine/threonine-protein kinase c-TAK1 | 88.63% | 88.81% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 84.11% | 85.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.75% | 97.25% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.64% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.47% | 95.89% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.22% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.41% | 100.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.36% | 93.03% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.95% | 98.95% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.79% | 92.62% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.11% | 100.00% |
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.
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| There are no matching plants. |
| PubChem | 85162568 |
| LOTUS | LTS0124343 |
| wikiData | Q104200919 |