(1S,4R,8R,9S,10R,12R)-9-[(1S)-2-(furan-3-yl)-1-hydroxy-2-oxoethyl]-9,10,12-trimethyl-2-oxatricyclo[6.3.1.04,12]dodecan-3-one
| Internal ID | 42d1d4c6-e5f5-4b59-90db-5b260f59b50b |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Aryl ketones > Aryl alkyl ketones |
| IUPAC Name | (1S,4R,8R,9S,10R,12R)-9-[(1S)-2-(furan-3-yl)-1-hydroxy-2-oxoethyl]-9,10,12-trimethyl-2-oxatricyclo[6.3.1.04,12]dodecan-3-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H26O5/c1-11-9-15-20(3)13(18(23)25-15)5-4-6-14(20)19(11,2)17(22)16(21)12-7-8-24-10-12/h7-8,10-11,13-15,17,22H,4-6,9H2,1-3H3/t11-,13+,14-,15+,17-,19+,20+/m1/s1 |
| InChI Key | XNVTUCIBLUQUSY-NRNXRCHESA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H26O5 |
| Molecular Weight | 346.40 g/mol |
| Exact Mass | 346.17802393 g/mol |
| Topological Polar Surface Area (TPSA) | 76.70 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
![2D Structure of (1S,4R,8R,9S,10R,12R)-9-[(1S)-2-(furan-3-yl)-1-hydroxy-2-oxoethyl]-9,10,12-trimethyl-2-oxatricyclo[6.3.1.04,12]dodecan-3-one](https://plantaedb.com/storage/docs/compounds/2023/11/10364180-85ea-11ee-9ca2-ed77a2b1ba97.jpg "2D Structure of (1S,4R,8R,9S,10R,12R)-9-[(1S)-2-(furan-3-yl)-1-hydroxy-2-oxoethyl]-9,10,12-trimethyl-2-oxatricyclo[6.3.1.04,12]dodecan-3-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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.08% | 83.82% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.07% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.65% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.46% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.11% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.86% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.55% | 97.25% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.16% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 86.78% | 91.49% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 86.67% | 93.04% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.78% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.44% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.03% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.18% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.45% | 86.33% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 80.62% | 83.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.05% | 91.19% |
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.
| Cornutia pyramidata |
| PubChem | 10991614 |
| LOTUS | LTS0194339 |
| wikiData | Q105331998 |