(8R,9S)-16-(3,4-dihydroxyphenyl)-8-(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,10(17),11,13-heptaene-3,4,6,9,12-pentol
| Internal ID | 9f2a602c-ea2c-4d58-b6d8-33c3c99c7a94 |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | (8R,9S)-16-(3,4-dihydroxyphenyl)-8-(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,10(17),11,13-heptaene-3,4,6,9,12-pentol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H20O9/c29-13-4-1-11(2-5-13)21-23-18(33)10-19(34)27(36)24(23)25-22-15(26(21)35)8-14(30)9-20(22)37-28(25)12-3-6-16(31)17(32)7-12/h1-10,21,26,29-36H/t21-,26-/m1/s1 |
| InChI Key | OTJUFGKCGUDJEI-QFQXNSOFSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H20O9 |
| Molecular Weight | 500.50 g/mol |
| Exact Mass | 500.11073221 g/mol |
| Topological Polar Surface Area (TPSA) | 175.00 Ų |
| XlogP | 3.80 |
| There are no found synonyms. |
![2D Structure of (8R,9S)-16-(3,4-dihydroxyphenyl)-8-(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,10(17),11,13-heptaene-3,4,6,9,12-pentol](https://plantaedb.com/storage/docs/compounds/2023/11/868cd200-858f-11ee-835e-57e928dce18d.jpg "2D Structure of (8R,9S)-16-(3,4-dihydroxyphenyl)-8-(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,10(17),11,13-heptaene-3,4,6,9,12-pentol")
| 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 | 99.49% | 91.11% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 96.82% | 99.15% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 95.29% | 98.35% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.13% | 89.00% |
| CHEMBL3194 | P02766 | Transthyretin | 94.78% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.59% | 94.45% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 91.45% | 91.38% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.59% | 98.95% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 89.01% | 88.48% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.94% | 91.49% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 87.65% | 95.64% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.45% | 90.71% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 87.37% | 95.78% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.68% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.37% | 85.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.83% | 94.00% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 82.62% | 98.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.25% | 94.73% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 82.11% | 85.11% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 82.03% | 91.71% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 81.88% | 97.31% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.50% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.05% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.46% | 86.33% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 80.24% | 95.56% |
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 malibato |
| PubChem | 101940878 |
| LOTUS | LTS0209694 |
| wikiData | Q105199668 |