(1R,16R)-9,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,8,10(17),11,13-heptaene-4,6,12-triol
| Internal ID | 0d2d4cc7-85d9-41dd-ae66-7df3e121ab22 |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | (1R,16R)-9,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,8,10(17),11,13-heptaene-4,6,12-triol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H20O6/c29-16-5-1-14(2-6-16)20-13-21-23(9-18(31)11-24(21)33)27-26-22(20)10-19(32)12-25(26)34-28(27)15-3-7-17(30)8-4-15/h1-13,27-33H/t27-,28+/m1/s1 |
| InChI Key | JQRQZSOMCSIDGH-IZLXSDGUSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C28H20O6 |
| Molecular Weight | 452.50 g/mol |
| Exact Mass | 452.12598835 g/mol |
| Topological Polar Surface Area (TPSA) | 110.00 Ų |
| XlogP | 4.80 |
| There are no found synonyms. |
![2D Structure of (1R,16R)-9,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,8,10(17),11,13-heptaene-4,6,12-triol](https://plantaedb.com/storage/docs/compounds/2023/11/7a2bd330-8740-11ee-9d3f-ff90e293ea6a.jpg "2D Structure of (1R,16R)-9,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,8,10(17),11,13-heptaene-4,6,12-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 | 98.27% | 91.11% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 96.67% | 99.15% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 95.79% | 98.35% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.39% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.24% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 91.16% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.14% | 96.09% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 87.70% | 95.78% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 87.00% | 88.48% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.50% | 97.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 84.83% | 93.40% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.08% | 92.94% |
| CHEMBL3194 | P02766 | Transthyretin | 82.43% | 90.71% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 81.72% | 85.11% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 81.72% | 96.12% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.57% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.97% | 86.33% |
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.
| Anthoshorea roxburghii |
| PubChem | 162868533 |
| LOTUS | LTS0071384 |
| wikiData | Q105133635 |