16-[3-[3-(3,5-Dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]-8-(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaene-4,6,9,12-tetrol
| Internal ID | 1b8f2924-14e6-45cb-9f22-48df978f4a91 |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | 16-[3-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]-8-(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaene-4,6,9,12-tetrol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C56H42O13/c57-30-8-1-25(2-9-30)46-49-40(19-35(62)22-42(49)65)52-51-41(53(46)66)21-37(64)24-45(51)69-56(52)28-7-14-43-38(17-28)48(55(67-43)27-5-12-32(59)13-6-27)39-20-36(63)23-44-50(39)47(29-15-33(60)18-34(61)16-29)54(68-44)26-3-10-31(58)11-4-26/h1-24,46-48,52-66H |
| InChI Key | ZBIMPJVCGBNHTP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C56H42O13 |
| Molecular Weight | 922.90 g/mol |
| Exact Mass | 922.26254139 g/mol |
| Topological Polar Surface Area (TPSA) | 230.00 Ų |
| XlogP | 8.30 |
| There are no found synonyms. |
![2D Structure of 16-[3-[3-(3,5-Dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]-8-(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaene-4,6,9,12-tetrol](https://plantaedb.com/storage/docs/compounds/2023/11/877a7f10-85e3-11ee-8eca-79f967a4f9c2.jpg "2D Structure of 16-[3-[3-(3,5-Dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]-8-(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaene-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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.60% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.77% | 91.11% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.99% | 99.15% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.38% | 96.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 89.60% | 93.40% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.91% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.68% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.49% | 98.95% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 83.58% | 93.10% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 83.28% | 89.44% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.03% | 95.56% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 82.97% | 97.33% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 82.64% | 90.93% |
| CHEMBL3194 | P02766 | Transthyretin | 80.53% | 90.71% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 80.41% | 85.00% |
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.
| Upuna borneensis |
| PubChem | 72819112 |
| LOTUS | LTS0121111 |
| wikiData | Q105370625 |