2-[(1S,2R,5R,7S,8S,12R)-11-acetyloxy-2,7-dihydroxy-8-methoxy-2,8,12-trimethyl-15-oxabicyclo[10.2.1]pentadecan-5-yl]prop-2-enoic acid
| Internal ID | d2518e7b-a4cd-468e-8bfb-f3ab1f5cd1cb |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | 2-[(1S,2R,5R,7S,8S,12R)-11-acetyloxy-2,7-dihydroxy-8-methoxy-2,8,12-trimethyl-15-oxabicyclo[10.2.1]pentadecan-5-yl]prop-2-enoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H38O8/c1-14(20(26)27)16-7-10-21(3,28)18-8-12-23(5,31-18)19(30-15(2)24)9-11-22(4,29-6)17(25)13-16/h16-19,25,28H,1,7-13H2,2-6H3,(H,26,27)/t16-,17+,18+,19?,21-,22+,23-/m1/s1 |
| InChI Key | QTJFUWKWNTVSSO-YNHXOMQQSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H38O8 |
| Molecular Weight | 442.50 g/mol |
| Exact Mass | 442.25666817 g/mol |
| Topological Polar Surface Area (TPSA) | 123.00 Ų |
| XlogP | 1.70 |
| There are no found synonyms. |
![2D Structure of 2-[(1S,2R,5R,7S,8S,12R)-11-acetyloxy-2,7-dihydroxy-8-methoxy-2,8,12-trimethyl-15-oxabicyclo[10.2.1]pentadecan-5-yl]prop-2-enoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/0941f7d0-85d7-11ee-a35b-cd78e4da740b.jpg "2D Structure of 2-[(1S,2R,5R,7S,8S,12R)-11-acetyloxy-2,7-dihydroxy-8-methoxy-2,8,12-trimethyl-15-oxabicyclo[10.2.1]pentadecan-5-yl]prop-2-enoic acid")
| 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 | 95.82% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.42% | 96.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 94.23% | 91.19% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.17% | 85.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.81% | 97.25% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 84.43% | 96.61% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.67% | 95.89% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.14% | 92.94% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.66% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.23% | 89.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.87% | 96.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.54% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.53% | 99.23% |
| CHEMBL5028 | O14672 | ADAM10 | 80.40% | 97.50% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.40% | 97.14% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.31% | 92.62% |
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 | 163186549 |
| LOTUS | LTS0134944 |
| wikiData | Q105227759 |