(1E,2S,3S)-3-(2,4-dihydroxyphenyl)-2-(3,5-dihydroxyphenyl)-1-[(4-hydroxy-3-methoxyphenyl)methylidene]-2,3-dihydroindene-4,6-diol
| Internal ID | 78591d30-0625-46fb-b8ad-6697e83ffdc3 |
| Taxonomy | Phenylpropanoids and polyketides > Stilbenes |
| IUPAC Name | (1E,2S,3S)-3-(2,4-dihydroxyphenyl)-2-(3,5-dihydroxyphenyl)-1-[(4-hydroxy-3-methoxyphenyl)methylidene]-2,3-dihydroindene-4,6-diol |
| SMILES (Canonical) | COC1=C(C=CC(=C1)C=C2C(C(C3=C2C=C(C=C3O)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=C2C=C(C=C3O)O)C4=C(C=C(C=C4)O)O)C5=CC(=CC(=C5)O)O)O |
| InChI | InChI=1S/C29H24O8/c1-37-26-7-14(2-5-23(26)34)6-21-22-11-19(33)13-25(36)28(22)29(20-4-3-16(30)12-24(20)35)27(21)15-8-17(31)10-18(32)9-15/h2-13,27,29-36H,1H3/b21-6-/t27-,29+/m0/s1 |
| InChI Key | HUGYHAODBSIAEC-MPARIPSBSA-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 (1E,2S,3S)-3-(2,4-dihydroxyphenyl)-2-(3,5-dihydroxyphenyl)-1-[(4-hydroxy-3-methoxyphenyl)methylidene]-2,3-dihydroindene-4,6-diol](https://plantaedb.com/storage/docs/compounds/2023/11/4fdaea80-86e1-11ee-8162-2b6cb7f9f422.jpg "2D Structure of (1E,2S,3S)-3-(2,4-dihydroxyphenyl)-2-(3,5-dihydroxyphenyl)-1-[(4-hydroxy-3-methoxyphenyl)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 | 98.48% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.35% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.12% | 91.11% |
| CHEMBL3194 | P02766 | Transthyretin | 95.41% | 90.71% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 94.10% | 89.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.25% | 95.56% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 92.99% | 96.12% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.89% | 86.33% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 91.53% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.77% | 89.00% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 89.63% | 91.79% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.28% | 98.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.56% | 99.15% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 87.23% | 88.48% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.65% | 98.75% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.40% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.08% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.81% | 90.00% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 83.55% | 91.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.14% | 92.94% |
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 | 162859947 |
| LOTUS | LTS0186623 |
| wikiData | Q105033766 |