14,15,16-Trihydroxy-4-methoxy-2,14,17-trimethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-ene-3,6,11-trione
| Internal ID | 30af1f0b-9396-4880-b7fb-762bc1f88365 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Quassinoids |
| IUPAC Name | 14,15,16-trihydroxy-4-methoxy-2,14,17-trimethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-ene-3,6,11-trione |
| SMILES (Canonical) | CC12C(CC3C4(C1C(C(C(C4CC(=O)O3)(C)O)O)O)C)C(=O)C=C(C2=O)OC |
| SMILES (Isomeric) | CC12C(CC3C4(C1C(C(C(C4CC(=O)O3)(C)O)O)O)C)C(=O)C=C(C2=O)OC |
| InChI | InChI=1S/C20H26O8/c1-18-8(9(21)6-10(27-4)16(18)24)5-12-19(2)11(7-13(22)28-12)20(3,26)17(25)14(23)15(18)19/h6,8,11-12,14-15,17,23,25-26H,5,7H2,1-4H3 |
| InChI Key | LYWFBBUSPUTCNA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H26O8 |
| Molecular Weight | 394.40 g/mol |
| Exact Mass | 394.16276778 g/mol |
| Topological Polar Surface Area (TPSA) | 130.00 Ų |
| XlogP | -0.60 |
| There are no found synonyms. |
![2D Structure of 14,15,16-Trihydroxy-4-methoxy-2,14,17-trimethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-ene-3,6,11-trione](https://plantaedb.com/storage/docs/compounds/2023/11/c0551e60-86bf-11ee-a063-d77c54f62f88.jpg "2D Structure of 14,15,16-Trihydroxy-4-methoxy-2,14,17-trimethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-ene-3,6,11-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 | 97.69% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.39% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.99% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.15% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.50% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.88% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.45% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.12% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.13% | 95.89% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 85.96% | 96.77% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.49% | 99.23% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.34% | 97.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.93% | 94.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.21% | 100.00% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 81.81% | 97.05% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.22% | 93.99% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.94% | 97.25% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.64% | 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.
| Picrasma javanica |
| PubChem | 162848661 |
| LOTUS | LTS0126844 |
| wikiData | Q105159647 |