(1R,2S,3E)-1-(2,4-dihydroxyphenyl)-2-(3,5-dihydroxyphenyl)-3-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,2-dihydroindene-5,6-diol
| Internal ID | 3efa0e58-1095-4c5e-98cf-0f7c571afa7c |
| Taxonomy | Phenylpropanoids and polyketides > Stilbenes |
| IUPAC Name | (1R,2S,3E)-1-(2,4-dihydroxyphenyl)-2-(3,5-dihydroxyphenyl)-3-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,2-dihydroindene-5,6-diol |
| SMILES (Canonical) | COC1=C(C=CC(=C1)C=C2C(C(C3=CC(=C(C=C32)O)O)C4=C(C=C(C=C4)O)O)C5=CC(=CC(=C5)O)O)O |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)/C=C/2\[C@@H]([C@H](C3=CC(=C(C=C32)O)O)C4=C(C=C(C=C4)O)O)C5=CC(=CC(=C5)O)O)O |
| InChI | InChI=1S/C29H24O8/c1-37-27-7-14(2-5-23(27)33)6-21-20-12-25(35)26(36)13-22(20)29(19-4-3-16(30)11-24(19)34)28(21)15-8-17(31)10-18(32)9-15/h2-13,28-36H,1H3/b21-6-/t28-,29-/m0/s1 |
| InChI Key | BCEGLVQXEUAGJT-DRUUWESNSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H24O8 |
| Molecular Weight | 500.50 g/mol |
| Exact Mass | 500.14711772 g/mol |
| Topological Polar Surface Area (TPSA) | 151.00 Ų |
| XlogP | 4.50 |
| There are no found synonyms. |
![2D Structure of (1R,2S,3E)-1-(2,4-dihydroxyphenyl)-2-(3,5-dihydroxyphenyl)-3-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,2-dihydroindene-5,6-diol](https://plantaedb.com/storage/docs/compounds/2023/11/93dbec90-833a-11ee-be77-8f7caad49125.jpg "2D Structure of (1R,2S,3E)-1-(2,4-dihydroxyphenyl)-2-(3,5-dihydroxyphenyl)-3-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,2-dihydroindene-5,6-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 | 98.15% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.77% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.61% | 96.09% |
| CHEMBL3194 | P02766 | Transthyretin | 95.61% | 90.71% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 94.49% | 89.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.88% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.84% | 86.33% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 90.43% | 100.00% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 89.68% | 88.48% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.62% | 99.15% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 89.41% | 96.12% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.33% | 98.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.14% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.44% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.44% | 99.17% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 85.10% | 93.31% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.08% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.85% | 90.00% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 84.13% | 91.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.92% | 92.94% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 80.52% | 91.79% |
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.
| Gnetum hainanense |
| PubChem | 5317788 |
| LOTUS | LTS0235762 |
| wikiData | Q105100457 |