(1R,2S,3R)-2-(3,5-dihydroxyphenyl)-3-(4-hydroxyphenyl)-1-[(R)-(4-hydroxyphenyl)-methoxymethyl]-2,3-dihydro-1H-indene-4,6-diol
| Internal ID | 51d060f8-2117-40b4-a20d-0bf45309aa51 |
| Taxonomy | Phenylpropanoids and polyketides > Stilbenes |
| IUPAC Name | (1R,2S,3R)-2-(3,5-dihydroxyphenyl)-3-(4-hydroxyphenyl)-1-[(R)-(4-hydroxyphenyl)-methoxymethyl]-2,3-dihydro-1H-indene-4,6-diol |
| SMILES (Canonical) | COC(C1C(C(C2=C1C=C(C=C2O)O)C3=CC=C(C=C3)O)C4=CC(=CC(=C4)O)O)C5=CC=C(C=C5)O |
| SMILES (Isomeric) | CO[C@H]([C@@H]1[C@H]([C@@H](C2=C1C=C(C=C2O)O)C3=CC=C(C=C3)O)C4=CC(=CC(=C4)O)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)25(15-2-6-18(30)7-3-15)26(28)17-10-20(32)12-21(33)11-17/h2-14,25-26,28-35H,1H3/t25-,26-,28-,29-/m0/s1 |
| InChI Key | LGPKJUJXISCYQZ-DZXSPZCNSA-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 (1R,2S,3R)-2-(3,5-dihydroxyphenyl)-3-(4-hydroxyphenyl)-1-[(R)-(4-hydroxyphenyl)-methoxymethyl]-2,3-dihydro-1H-indene-4,6-diol](https://plantaedb.com/storage/docs/compounds/2023/11/68085290-81dd-11ee-992a-6949444c9acf.jpg "2D Structure of (1R,2S,3R)-2-(3,5-dihydroxyphenyl)-3-(4-hydroxyphenyl)-1-[(R)-(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 | 98.00% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.04% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.72% | 98.95% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 92.05% | 93.40% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.60% | 94.45% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.02% | 99.15% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.31% | 90.00% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 87.44% | 97.23% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 86.73% | 89.62% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 84.53% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.05% | 97.09% |
| CHEMBL3194 | P02766 | Transthyretin | 83.37% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.04% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.97% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.82% | 95.56% |
| CHEMBL301 | P24941 | Cyclin-dependent kinase 2 | 82.22% | 91.23% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 81.18% | 91.79% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.93% | 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.
| Parthenocissus tricuspidata |
| PubChem | 11496788 |
| LOTUS | LTS0154275 |
| wikiData | Q105151514 |