(1R,3R,4S,6S,7R)-7-hydroxy-8,8-dimethyl-1,4,6-tris(3-methylbut-2-enyl)-3-(2-methylpropanoyl)-2-oxatricyclo[4.3.1.03,7]decane-9,10-dione
| Internal ID | 50e3e168-126a-4551-986a-f67e86939ee6 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | (1R,3R,4S,6S,7R)-7-hydroxy-8,8-dimethyl-1,4,6-tris(3-methylbut-2-enyl)-3-(2-methylpropanoyl)-2-oxatricyclo[4.3.1.03,7]decane-9,10-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H44O5/c1-18(2)11-12-22-17-27(15-13-19(3)4)25(33)28(16-14-20(5)6)24(32)26(9,10)30(27,34)29(22,35-28)23(31)21(7)8/h11,13-14,21-22,34H,12,15-17H2,1-10H3/t22-,27+,28+,29-,30+/m0/s1 |
| InChI Key | IOYUJCMCZWLNAL-GMVATZDTSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C30H44O5 |
| Molecular Weight | 484.70 g/mol |
| Exact Mass | 484.31887450 g/mol |
| Topological Polar Surface Area (TPSA) | 80.70 Ų |
| XlogP | 6.70 |
| BDBM50543842 |
![2D Structure of (1R,3R,4S,6S,7R)-7-hydroxy-8,8-dimethyl-1,4,6-tris(3-methylbut-2-enyl)-3-(2-methylpropanoyl)-2-oxatricyclo[4.3.1.03,7]decane-9,10-dione](https://plantaedb.com/storage/docs/compounds/2023/11/945e1ae0-8705-11ee-b618-054e2183b755.jpg "2D Structure of (1R,3R,4S,6S,7R)-7-hydroxy-8,8-dimethyl-1,4,6-tris(3-methylbut-2-enyl)-3-(2-methylpropanoyl)-2-oxatricyclo[4.3.1.03,7]decane-9,10-dione")
| 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 | 96.92% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.47% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.17% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.62% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.66% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.23% | 98.95% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 87.29% | 89.34% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.80% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.33% | 94.73% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.33% | 100.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.71% | 91.07% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.09% | 92.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.61% | 97.09% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 81.48% | 83.57% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.48% | 99.23% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 80.79% | 91.24% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.51% | 90.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.43% | 95.89% |
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.
| Garcinia subelliptica |
| PubChem | 156013444 |
| LOTUS | LTS0062662 |
| wikiData | Q105116983 |