(1R,4S,5S,9S,12R,13S,19R)-19-methoxy-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadecane-3,8,16-trione
| Internal ID | 0681a702-7316-4c76-bea7-ca6616c565ae |
| Taxonomy | Organoheterocyclic compounds > Oxepanes |
| IUPAC Name | (1R,4S,5S,9S,12R,13S,19R)-19-methoxy-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadecane-3,8,16-trione |
| SMILES (Canonical) | CC1(C(=O)CCC2C13CC(=O)C4C2(CCC5(C4(CCC5=O)C)C)C(O3)OC)C |
| SMILES (Isomeric) | C[C@@]12CCC(=O)[C@]1(CC[C@]34[C@H]2C(=O)C[C@]5([C@H]3CCC(=O)C5(C)C)O[C@H]4OC)C |
| InChI | InChI=1S/C23H32O5/c1-19(2)15(25)7-6-14-22-11-10-20(3)16(26)8-9-21(20,4)17(22)13(24)12-23(14,19)28-18(22)27-5/h14,17-18H,6-12H2,1-5H3/t14-,17-,18+,20+,21-,22+,23+/m0/s1 |
| InChI Key | ALUMZZCQCVEYER-BDCMJAOXSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H32O5 |
| Molecular Weight | 388.50 g/mol |
| Exact Mass | 388.22497412 g/mol |
| Topological Polar Surface Area (TPSA) | 69.70 Ų |
| XlogP | 1.70 |
| There are no found synonyms. |
![2D Structure of (1R,4S,5S,9S,12R,13S,19R)-19-methoxy-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadecane-3,8,16-trione](https://plantaedb.com/storage/docs/compounds/2023/11/a0929e40-8341-11ee-95c7-4347ffbab7d5.jpg "2D Structure of (1R,4S,5S,9S,12R,13S,19R)-19-methoxy-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadecane-3,8,16-trione")
| 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 | 94.11% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.61% | 97.25% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 91.08% | 96.77% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.66% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.24% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.21% | 92.94% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.83% | 99.23% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.41% | 94.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.05% | 94.00% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 84.38% | 94.78% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 83.67% | 95.38% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.37% | 93.04% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.00% | 92.62% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.80% | 97.14% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.27% | 82.69% |
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 | 46177218 |
| LOTUS | LTS0088036 |
| wikiData | Q104914368 |