8,16-Bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,10(17),11,13-heptaene-4,6,9,12-tetrol
| Internal ID | a489b5bc-c60b-43b4-82da-c7f68bc6a1f4 |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | 8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,10(17),11,13-heptaene-4,6,9,12-tetrol |
| SMILES (Canonical) | C1=CC(=CC=C1C2C(C3=C4C(=CC(=C3)O)OC(=C4C5=C2C(=CC(=C5)O)O)C6=CC=C(C=C6)O)O)O |
| SMILES (Isomeric) | C1=CC(=CC=C1C2C(C3=C4C(=CC(=C3)O)OC(=C4C5=C2C(=CC(=C5)O)O)C6=CC=C(C=C6)O)O)O |
| InChI | InChI=1S/C28H20O7/c29-15-5-1-13(2-6-15)23-24-19(9-17(31)11-21(24)33)26-25-20(27(23)34)10-18(32)12-22(25)35-28(26)14-3-7-16(30)8-4-14/h1-12,23,27,29-34H |
| InChI Key | GCOPXRXOORFRHV-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C28H20O7 |
| Molecular Weight | 468.50 g/mol |
| Exact Mass | 468.12090297 g/mol |
| Topological Polar Surface Area (TPSA) | 135.00 Ų |
| XlogP | 4.50 |
| There are no found synonyms. |
![2D Structure of 8,16-Bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,10(17),11,13-heptaene-4,6,9,12-tetrol](https://plantaedb.com/storage/docs/compounds/2023/11/8c5853b0-8597-11ee-983e-71d33e8881cb.jpg "2D Structure of 8,16-Bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,10(17),11,13-heptaene-4,6,9,12-tetrol")
| 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 | 97.84% | 91.11% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 97.34% | 98.35% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.26% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.67% | 98.95% |
| CHEMBL3194 | P02766 | Transthyretin | 94.21% | 90.71% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 93.87% | 99.15% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 93.24% | 91.38% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 92.06% | 95.78% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 89.62% | 95.64% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.88% | 97.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.80% | 90.71% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.43% | 94.00% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 83.87% | 96.12% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.80% | 96.09% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 82.77% | 88.48% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 81.97% | 96.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 81.87% | 91.49% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 81.70% | 85.11% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 81.37% | 97.28% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.88% | 91.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.67% | 99.17% |
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.
| Hopea hainanensis |
| Hopea indica |
| Hopea malibato |
| Hopea utilis |
| PubChem | 9912459 |
| LOTUS | LTS0047764 |
| wikiData | Q105006375 |