(14-Hydroxy-4,8,11-trimethyl-15-methylidene-9-oxo-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadecan-4-yl) butanoate
| Internal ID | fbf790d3-737d-41ab-b14e-bb8cf06f2b83 |
| Taxonomy | Organoheterocyclic compounds > Lactones |
| IUPAC Name | (14-hydroxy-4,8,11-trimethyl-15-methylidene-9-oxo-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadecan-4-yl) butanoate |
| SMILES (Canonical) | CCCC(=O)OC1(CCC2C(C(=O)OC3(CCC(C(=C)CC4C1C2C3O4)O)C)C)C |
| SMILES (Isomeric) | CCCC(=O)OC1(CCC2C(C(=O)OC3(CCC(C(=C)CC4C1C2C3O4)O)C)C)C |
| InChI | InChI=1S/C24H36O6/c1-6-7-18(26)29-23(4)10-8-15-14(3)22(27)30-24(5)11-9-16(25)13(2)12-17-20(23)19(15)21(24)28-17/h14-17,19-21,25H,2,6-12H2,1,3-5H3 |
| InChI Key | UCDUEWRTJNDUNP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H36O6 |
| Molecular Weight | 420.50 g/mol |
| Exact Mass | 420.25118886 g/mol |
| Topological Polar Surface Area (TPSA) | 82.10 Ų |
| XlogP | 3.00 |
| There are no found synonyms. |
![2D Structure of (14-Hydroxy-4,8,11-trimethyl-15-methylidene-9-oxo-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadecan-4-yl) butanoate](https://plantaedb.com/storage/docs/compounds/2023/11/1f1e59c0-860a-11ee-99c7-a79908f370a5.jpg "2D Structure of (14-Hydroxy-4,8,11-trimethyl-15-methylidene-9-oxo-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadecan-4-yl) butanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.19% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.13% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.21% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.04% | 94.45% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 94.02% | 94.45% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.97% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.81% | 98.95% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 91.70% | 94.80% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 91.14% | 96.61% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.38% | 89.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.83% | 92.94% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.62% | 97.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.68% | 91.19% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.28% | 86.33% |
| CHEMBL1871 | P10275 | Androgen Receptor | 85.73% | 96.43% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 85.17% | 98.59% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 84.82% | 89.05% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 83.60% | 92.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.12% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.70% | 100.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.56% | 94.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.85% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.75% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.67% | 92.62% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.48% | 97.14% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 80.22% | 97.50% |
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.
| Myristica fragrans |
| PubChem | 78182715 |
| LOTUS | LTS0065021 |
| wikiData | Q105135003 |