(1R,4S,5S,9S,12S,13S)-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-ene-8,16-dione
| Internal ID | e0a0177e-4772-4b31-9918-c5c22dec72ee |
| Taxonomy | Organoheterocyclic compounds > Oxolanes |
| IUPAC Name | (1R,4S,5S,9S,12S,13S)-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-ene-8,16-dione |
| SMILES (Canonical) | CC1(C(=O)CCC2C13C=CC4C2(CCC5(C4(CCC5=O)C)C)CO3)C |
| SMILES (Isomeric) | C[C@@]12CCC(=O)[C@]1(CC[C@]34[C@H]2C=C[C@]5([C@H]3CCC(=O)C5(C)C)OC4)C |
| InChI | InChI=1S/C22H30O3/c1-18(2)16(23)6-5-15-21-12-11-20(4)17(24)8-9-19(20,3)14(21)7-10-22(15,18)25-13-21/h7,10,14-15H,5-6,8-9,11-13H2,1-4H3/t14-,15-,19-,20+,21-,22+/m0/s1 |
| InChI Key | YXDUTHSIFYOIQZ-FSTIMSIWSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H30O3 |
| Molecular Weight | 342.50 g/mol |
| Exact Mass | 342.21949481 g/mol |
| Topological Polar Surface Area (TPSA) | 43.40 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of (1R,4S,5S,9S,12S,13S)-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-ene-8,16-dione](https://plantaedb.com/storage/docs/compounds/2023/11/f5c62b60-8582-11ee-9bb2-f52bab9a40f6.jpg "2D Structure of (1R,4S,5S,9S,12S,13S)-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-ene-8,16-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 95.53% | 98.95% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 91.76% | 93.40% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.38% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.53% | 91.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.33% | 99.23% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 89.01% | 96.77% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.49% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.08% | 95.56% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 87.40% | 94.78% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.90% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.63% | 97.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 86.21% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.44% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.09% | 94.45% |
| CHEMBL1944 | P08473 | Neprilysin | 83.77% | 92.63% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 82.98% | 93.04% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.25% | 82.69% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.67% | 94.00% |
| CHEMBL1871 | P10275 | Androgen Receptor | 80.21% | 96.43% |
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.
| Momordica charantia |
| PubChem | 46177217 |
| LOTUS | LTS0251902 |
| wikiData | Q105367520 |