2-Oxatricyclo[21.3.1.03,8]heptacosa-1(27),3(8),4,6,23,25-hexaene-4,6,25-triol
| Internal ID | 107b9280-4e6a-40d9-af7c-3d4eecb59e32 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Ethers > Diarylethers |
| IUPAC Name | 2-oxatricyclo[21.3.1.03,8]heptacosa-1(27),3(8),4,6,23,25-hexaene-4,6,25-triol |
| SMILES (Canonical) | C1CCCCCCCC2=C(C(=CC(=C2)O)O)OC3=CC(=CC(=C3)O)CCCCCC1 |
| SMILES (Isomeric) | C1CCCCCCCC2=C(C(=CC(=C2)O)O)OC3=CC(=CC(=C3)O)CCCCCC1 |
| InChI | InChI=1S/C26H36O4/c27-22-15-20-13-11-9-7-5-3-1-2-4-6-8-10-12-14-21-17-23(28)19-25(29)26(21)30-24(16-20)18-22/h15-19,27-29H,1-14H2 |
| InChI Key | PXHGALFZYJSIBC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H36O4 |
| Molecular Weight | 412.60 g/mol |
| Exact Mass | 412.26135963 g/mol |
| Topological Polar Surface Area (TPSA) | 69.90 Ų |
| XlogP | 9.20 |
| There are no found synonyms. |
![2D Structure of 2-Oxatricyclo[21.3.1.03,8]heptacosa-1(27),3(8),4,6,23,25-hexaene-4,6,25-triol](https://plantaedb.com/storage/docs/compounds/2023/11/2-oxatricyclo2131038heptacosa-12738462325-hexaene-4625-triol.jpg "2D Structure of 2-Oxatricyclo[21.3.1.03,8]heptacosa-1(27),3(8),4,6,23,25-hexaene-4,6,25-triol")
| 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 | 98.44% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.99% | 91.49% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 89.29% | 93.40% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.67% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.05% | 98.95% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 86.98% | 96.12% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.80% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.58% | 86.33% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 81.28% | 95.78% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.42% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.38% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.25% | 96.09% |
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.
| Kermadecia rotundifolia |
| PubChem | 162905034 |
| LOTUS | LTS0219814 |
| wikiData | Q105216180 |