3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-1-[(4-hydroxyphenyl)-methoxymethyl]-2,3-dihydro-1H-indene-4,6-diol
| Internal ID | 24c4d8df-6402-40b1-ac60-6fac4ed0dfd3 |
| Taxonomy | Phenylpropanoids and polyketides > Stilbenes |
| IUPAC Name | 3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-1-[(4-hydroxyphenyl)-methoxymethyl]-2,3-dihydro-1H-indene-4,6-diol |
| SMILES (Canonical) | COC(C1C(C(C2=C1C=C(C=C2O)O)C3=CC(=CC(=C3)O)O)C4=CC=C(C=C4)O)C5=CC=C(C=C5)O |
| SMILES (Isomeric) | COC(C1C(C(C2=C1C=C(C=C2O)O)C3=CC(=CC(=C3)O)O)C4=CC=C(C=C4)O)C5=CC=C(C=C5)O |
| InChI | InChI=1S/C29H26O7/c1-36-29(16-4-8-19(31)9-5-16)28-23-13-22(34)14-24(35)27(23)26(17-10-20(32)12-21(33)11-17)25(28)15-2-6-18(30)7-3-15/h2-14,25-26,28-35H,1H3 |
| InChI Key | XPDHVQUZVFHQNW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H26O7 |
| Molecular Weight | 486.50 g/mol |
| Exact Mass | 486.16785316 g/mol |
| Topological Polar Surface Area (TPSA) | 131.00 Ų |
| XlogP | 4.50 |
| There are no found synonyms. |
![2D Structure of 3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-1-[(4-hydroxyphenyl)-methoxymethyl]-2,3-dihydro-1H-indene-4,6-diol](https://plantaedb.com/storage/docs/compounds/2023/11/a13e2080-8611-11ee-8075-55ea9a842323.jpg "2D Structure of 3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-1-[(4-hydroxyphenyl)-methoxymethyl]-2,3-dihydro-1H-indene-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.69% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.07% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.54% | 94.45% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 92.05% | 93.40% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.44% | 98.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.02% | 99.15% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.31% | 90.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 88.26% | 89.62% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 87.13% | 97.23% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.78% | 99.17% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 84.56% | 91.49% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.23% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.70% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.82% | 95.56% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 82.61% | 100.00% |
| CHEMBL301 | P24941 | Cyclin-dependent kinase 2 | 82.59% | 91.23% |
| CHEMBL3194 | P02766 | Transthyretin | 82.47% | 90.71% |
| CHEMBL4422 | O14842 | Free fatty acid receptor 1 | 81.29% | 93.33% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 81.13% | 91.79% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.09% | 100.00% |
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.
| Vitis vinifera |
| PubChem | 76445550 |
| LOTUS | LTS0099833 |
| wikiData | Q105338200 |