2-[2-[2-[3-(3,5-Dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-5-yl]-1-hydroxy-2-(4-hydroxyphenyl)ethyl]-4,6-dihydroxyphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
| Internal ID | a8325891-9201-4a8e-927b-b81b70ff9243 |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | 2-[2-[2-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-5-yl]-1-hydroxy-2-(4-hydroxyphenyl)ethyl]-4,6-dihydroxyphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C48H44O15/c49-21-37-44(59)45(60)46(61)48(63-37)41-33(18-31(55)19-34(41)56)43(58)38(23-4-10-27(51)11-5-23)40-32(14-3-22-1-8-26(50)9-2-22)42-36(20-35(40)57)62-47(24-6-12-28(52)13-7-24)39(42)25-15-29(53)17-30(54)16-25/h1-20,37-39,43-61H,21H2 |
| InChI Key | PKDHDJWDFKGODJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C48H44O15 |
| Molecular Weight | 860.90 g/mol |
| Exact Mass | 860.26802069 g/mol |
| Topological Polar Surface Area (TPSA) | 281.00 Ų |
| XlogP | 4.40 |
| There are no found synonyms. |
![2D Structure of 2-[2-[2-[3-(3,5-Dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-5-yl]-1-hydroxy-2-(4-hydroxyphenyl)ethyl]-4,6-dihydroxyphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/042276b0-85dc-11ee-8010-b1591659c97a.jpg "2D Structure of 2-[2-[2-[3-(3,5-Dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-5-yl]-1-hydroxy-2-(4-hydroxyphenyl)ethyl]-4,6-dihydroxyphenyl]-6-(hydroxymethyl)oxane-3,4,5-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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.98% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.87% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.71% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.86% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.66% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.45% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.40% | 98.95% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 92.33% | 86.92% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.72% | 96.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.06% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.20% | 95.56% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 89.90% | 89.67% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.89% | 93.99% |
| CHEMBL3194 | P02766 | Transthyretin | 87.63% | 90.71% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 85.70% | 89.44% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.93% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.82% | 99.17% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 83.82% | 91.71% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 83.78% | 85.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 83.11% | 89.62% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.71% | 100.00% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 80.50% | 96.37% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 80.37% | 95.83% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.37% | 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.
| Hopea indica |
| PubChem | 75605095 |
| LOTUS | LTS0175405 |
| wikiData | Q105210341 |