(1E,2S,3S)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-1-[(4-hydroxyphenyl)methylidene]-2,3-dihydroindene-4,6-diol
| Internal ID | 17fcaff2-38c8-4969-9881-20622948b5ce |
| Taxonomy | Phenylpropanoids and polyketides > Stilbenes |
| IUPAC Name | (1E,2S,3S)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-1-[(4-hydroxyphenyl)methylidene]-2,3-dihydroindene-4,6-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H22O6/c29-18-5-1-15(2-6-18)9-23-24-13-22(33)14-25(34)28(24)27(17-10-20(31)12-21(32)11-17)26(23)16-3-7-19(30)8-4-16/h1-14,26-27,29-34H/b23-9-/t26-,27+/m0/s1 |
| InChI Key | NJFRRNXUFGQUEK-PHPWSYFYSA-N |
| Popularity | 6 references in papers |
| Molecular Formula | C28H22O6 |
| Molecular Weight | 454.50 g/mol |
| Exact Mass | 454.14163842 g/mol |
| Topological Polar Surface Area (TPSA) | 121.00 Ų |
| XlogP | 4.90 |
| SCHEMBL3652230 |
| DTXSID301317950 |
| 149418-37-1 |
![2D Structure of (1E,2S,3S)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-1-[(4-hydroxyphenyl)methylidene]-2,3-dihydroindene-4,6-diol](https://plantaedb.com/storage/docs/compounds/2023/11/0376ccd0-85fe-11ee-b16c-7ddd97a0a874.jpg "2D Structure of (1E,2S,3S)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-1-[(4-hydroxyphenyl)methylidene]-2,3-dihydroindene-4,6-diol")
| 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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.69% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.38% | 91.11% |
| CHEMBL3194 | P02766 | Transthyretin | 95.07% | 90.71% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 92.27% | 96.12% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.92% | 89.00% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 89.79% | 92.51% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.07% | 96.09% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 86.09% | 91.38% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.02% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.32% | 90.00% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 84.28% | 85.11% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 83.84% | 89.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.65% | 98.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.57% | 99.15% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 83.50% | 88.48% |
| CHEMBL233 | P35372 | Mu opioid receptor | 83.33% | 97.93% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.19% | 97.09% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 83.08% | 91.71% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.33% | 92.94% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 81.08% | 89.67% |
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.
| Vatica pauciflora |
| PubChem | 21581462 |
| LOTUS | LTS0070419 |
| wikiData | Q105180120 |