3-(3,5-dihydroxyphenyl)-4-[2-(3,5-dihydroxyphenyl)ethenyl]-6a-hydroxy-2-(3,4,5-trihydroxyphenyl)-3aH-pentalene-1,6-dione
| Internal ID | 85179d0b-e80a-481c-aeb2-9e299bfee1fb |
| Taxonomy | Phenylpropanoids and polyketides > Diarylheptanoids > Linear diarylheptanoids |
| IUPAC Name | 3-(3,5-dihydroxyphenyl)-4-[2-(3,5-dihydroxyphenyl)ethenyl]-6a-hydroxy-2-(3,4,5-trihydroxyphenyl)-3aH-pentalene-1,6-dione |
| SMILES (Canonical) | C1=C(C=C(C=C1O)O)C=CC2=CC(=O)C3(C2C(=C(C3=O)C4=CC(=C(C(=C4)O)O)O)C5=CC(=CC(=C5)O)O)O |
| SMILES (Isomeric) | C1=C(C=C(C=C1O)O)C=CC2=CC(=O)C3(C2C(=C(C3=O)C4=CC(=C(C(=C4)O)O)O)C5=CC(=CC(=C5)O)O)O |
| InChI | InChI=1S/C28H20O10/c29-16-3-12(4-17(30)10-16)1-2-13-9-22(35)28(38)25(13)23(14-5-18(31)11-19(32)6-14)24(27(28)37)15-7-20(33)26(36)21(34)8-15/h1-11,25,29-34,36,38H |
| InChI Key | RGGGOCHRMOMHGL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H20O10 |
| Molecular Weight | 516.50 g/mol |
| Exact Mass | 516.10564683 g/mol |
| Topological Polar Surface Area (TPSA) | 196.00 Ų |
| XlogP | 2.00 |
| There are no found synonyms. |
![2D Structure of 3-(3,5-dihydroxyphenyl)-4-[2-(3,5-dihydroxyphenyl)ethenyl]-6a-hydroxy-2-(3,4,5-trihydroxyphenyl)-3aH-pentalene-1,6-dione](https://plantaedb.com/storage/docs/compounds/2023/11/44491cc0-8560-11ee-a9c0-152148cfdc9a.jpg "2D Structure of 3-(3,5-dihydroxyphenyl)-4-[2-(3,5-dihydroxyphenyl)ethenyl]-6a-hydroxy-2-(3,4,5-trihydroxyphenyl)-3aH-pentalene-1,6-dione")
| 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 | 99.55% | 91.11% |
| CHEMBL3194 | P02766 | Transthyretin | 95.92% | 90.71% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 93.27% | 93.40% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 93.19% | 89.63% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.09% | 91.49% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 91.89% | 83.57% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 90.60% | 96.12% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 90.13% | 91.38% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 89.74% | 95.69% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.81% | 99.15% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.35% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.44% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.35% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.04% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.16% | 89.00% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 83.82% | 91.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.89% | 94.45% |
| CHEMBL3788 | O00444 | Serine/threonine-protein kinase PLK4 | 81.81% | 83.65% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 81.75% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.96% | 99.23% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.56% | 94.75% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 80.56% | 94.42% |
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.
| Syagrus romanzoffiana |
| PubChem | 75154014 |
| LOTUS | LTS0247503 |
| wikiData | Q105235814 |