(1S,2R,3S)-2-(2,4-dihydroxyphenyl)-3-(3,5-dihydroxyphenyl)-1-[(S)-hydroxy-(4-hydroxyphenyl)methyl]-2,3-dihydro-1H-indene-4,6-diol
| Internal ID | a35c265e-0660-43a1-a5ab-d4482ce0b1cb |
| Taxonomy | Phenylpropanoids and polyketides > Stilbenes |
| IUPAC Name | (1S,2R,3S)-2-(2,4-dihydroxyphenyl)-3-(3,5-dihydroxyphenyl)-1-[(S)-hydroxy-(4-hydroxyphenyl)methyl]-2,3-dihydro-1H-indene-4,6-diol |
| SMILES (Canonical) | C1=CC(=CC=C1C(C2C(C(C3=C2C=C(C=C3O)O)C4=CC(=CC(=C4)O)O)C5=C(C=C(C=C5)O)O)O)O |
| SMILES (Isomeric) | C1=CC(=CC=C1[C@H]([C@H]2[C@@H]([C@H](C3=C2C=C(C=C3O)O)C4=CC(=CC(=C4)O)O)C5=C(C=C(C=C5)O)O)O)O |
| InChI | InChI=1S/C28H24O8/c29-15-3-1-13(2-4-15)28(36)27-21-10-19(33)12-23(35)25(21)24(14-7-17(31)9-18(32)8-14)26(27)20-6-5-16(30)11-22(20)34/h1-12,24,26-36H/t24-,26+,27+,28+/m0/s1 |
| InChI Key | BNGOSMIQKCAGQH-DQFDVREHSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H24O8 |
| Molecular Weight | 488.50 g/mol |
| Exact Mass | 488.14711772 g/mol |
| Topological Polar Surface Area (TPSA) | 162.00 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
![2D Structure of (1S,2R,3S)-2-(2,4-dihydroxyphenyl)-3-(3,5-dihydroxyphenyl)-1-[(S)-hydroxy-(4-hydroxyphenyl)methyl]-2,3-dihydro-1H-indene-4,6-diol](https://plantaedb.com/storage/docs/compounds/2023/11/ae554ec0-8208-11ee-b5f2-7ded3d818a11.jpg "2D Structure of (1S,2R,3S)-2-(2,4-dihydroxyphenyl)-3-(3,5-dihydroxyphenyl)-1-[(S)-hydroxy-(4-hydroxyphenyl)methyl]-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 | 97.10% | 91.11% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 94.75% | 93.40% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.21% | 96.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 93.62% | 99.15% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 92.69% | 97.23% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.30% | 98.95% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 87.64% | 100.00% |
| CHEMBL4422 | O14842 | Free fatty acid receptor 1 | 87.29% | 93.33% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 87.06% | 89.62% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 87.04% | 85.00% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 86.04% | 96.12% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.53% | 90.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.17% | 94.45% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.14% | 98.75% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 83.63% | 100.00% |
| CHEMBL3194 | P02766 | Transthyretin | 83.11% | 90.71% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.96% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.28% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.65% | 95.89% |
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 | 10601060 |
| LOTUS | LTS0103906 |
| wikiData | Q104938786 |