(6aS,11aR)-2,10-bis(3-methylbut-2-enyl)-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-3,6a,9-triol
| Internal ID | 573f3a2b-5dea-4cf8-89ac-8144fb9c5797 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Furanoisoflavonoids > Pterocarpans |
| IUPAC Name | (6aS,11aR)-2,10-bis(3-methylbut-2-enyl)-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-3,6a,9-triol |
| SMILES (Canonical) | CC(=CCC1=CC2=C(C=C1O)OCC3(C2OC4=C3C=CC(=C4CC=C(C)C)O)O)C |
| SMILES (Isomeric) | CC(=CCC1=CC2=C(C=C1O)OC[C@@]3([C@@H]2OC4=C3C=CC(=C4CC=C(C)C)O)O)C |
| InChI | InChI=1S/C25H28O5/c1-14(2)5-7-16-11-18-22(12-21(16)27)29-13-25(28)19-9-10-20(26)17(8-6-15(3)4)23(19)30-24(18)25/h5-6,9-12,24,26-28H,7-8,13H2,1-4H3/t24-,25-/m1/s1 |
| InChI Key | ZAAKSBRPXNODLV-JWQCQUIFSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H28O5 |
| Molecular Weight | 408.50 g/mol |
| Exact Mass | 408.19367399 g/mol |
| Topological Polar Surface Area (TPSA) | 79.20 Ų |
| XlogP | 5.10 |
| There are no found synonyms. |
![2D Structure of (6aS,11aR)-2,10-bis(3-methylbut-2-enyl)-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-3,6a,9-triol](https://plantaedb.com/storage/docs/compounds/2023/11/6as11ar-210-bis3-methylbut-2-enyl-611a-dihydro-1benzofuro32-cchromene-36a9-triol.jpg "2D Structure of (6aS,11aR)-2,10-bis(3-methylbut-2-enyl)-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-3,6a,9-triol")
| 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 | 99.70% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.81% | 94.45% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 94.41% | 93.40% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.43% | 86.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.85% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.37% | 96.09% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 87.87% | 95.17% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 87.81% | 94.80% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.69% | 91.49% |
| CHEMBL3286 | P00749 | Urokinase-type plasminogen activator | 87.37% | 97.88% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.21% | 97.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.28% | 94.73% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.20% | 95.89% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.82% | 99.15% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.34% | 90.17% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.26% | 92.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.39% | 98.95% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 82.83% | 90.24% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.88% | 95.56% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 80.55% | 93.10% |
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.
| Phaseolus lunatus |
| PubChem | 163001877 |
| LOTUS | LTS0145714 |
| wikiData | Q105369645 |