15-Acetyl-7-hydroxy-6,6,10,14,18-pentamethyl-2-oxapentacyclo[9.7.0.01,3.05,10.014,18]octadec-11-ene-13,17-dione
| Internal ID | d5d87916-67a6-4c1b-a49f-ee4bfa17f2a7 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | 15-acetyl-7-hydroxy-6,6,10,14,18-pentamethyl-2-oxapentacyclo[9.7.0.01,3.05,10.014,18]octadec-11-ene-13,17-dione |
| SMILES (Canonical) | CC(=O)C1CC(=O)C2(C1(C(=O)C=C3C24C(O4)CC5C3(CCC(C5(C)C)O)C)C)C |
| SMILES (Isomeric) | CC(=O)C1CC(=O)C2(C1(C(=O)C=C3C24C(O4)CC5C3(CCC(C5(C)C)O)C)C)C |
| InChI | InChI=1S/C24H32O5/c1-12(25)13-9-18(28)23(6)22(13,5)17(27)10-15-21(4)8-7-16(26)20(2,3)14(21)11-19-24(15,23)29-19/h10,13-14,16,19,26H,7-9,11H2,1-6H3 |
| InChI Key | MIRXTBPIFWAALT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H32O5 |
| Molecular Weight | 400.50 g/mol |
| Exact Mass | 400.22497412 g/mol |
| Topological Polar Surface Area (TPSA) | 84.00 Ų |
| XlogP | 1.20 |
| There are no found synonyms. |
![2D Structure of 15-Acetyl-7-hydroxy-6,6,10,14,18-pentamethyl-2-oxapentacyclo[9.7.0.01,3.05,10.014,18]octadec-11-ene-13,17-dione](https://plantaedb.com/storage/docs/compounds/2023/11/d07d0c40-8549-11ee-90cd-bdf605600370.jpg "2D Structure of 15-Acetyl-7-hydroxy-6,6,10,14,18-pentamethyl-2-oxapentacyclo[9.7.0.01,3.05,10.014,18]octadec-11-ene-13,17-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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.31% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.83% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.27% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.02% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.59% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.33% | 98.95% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 90.13% | 85.30% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.96% | 99.23% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 88.80% | 93.03% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 87.92% | 95.93% |
| CHEMBL2850 | P49840 | Glycogen synthase kinase-3 alpha | 87.62% | 88.84% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.99% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.61% | 89.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.25% | 97.25% |
| CHEMBL5408 | Q9UHD2 | Serine/threonine-protein kinase TBK1 | 84.69% | 90.48% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.46% | 91.19% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.39% | 90.17% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.23% | 82.69% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.44% | 90.71% |
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 | 162814762 |
| LOTUS | LTS0076448 |
| wikiData | Q105373130 |