2,9-bis(3-methylbut-2-enyl)-10a,11-dihydro-5aH-[1]benzofuro[3,2-b]chromene-3,8-diol
| Internal ID | 60aafa97-3d00-47db-b2b6-3ebc1190f852 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans |
| IUPAC Name | 2,9-bis(3-methylbut-2-enyl)-10a,11-dihydro-5aH-[1]benzofuro[3,2-b]chromene-3,8-diol |
| SMILES (Canonical) | CC(=CCC1=C(C=C2C(=C1)CC3C(O2)C4=C(O3)C(=C(C=C4)O)CC=C(C)C)O)C |
| SMILES (Isomeric) | CC(=CCC1=C(C=C2C(=C1)CC3C(O2)C4=C(O3)C(=C(C=C4)O)CC=C(C)C)O)C |
| InChI | InChI=1S/C25H28O4/c1-14(2)5-7-16-11-17-12-23-25(28-22(17)13-21(16)27)19-9-10-20(26)18(24(19)29-23)8-6-15(3)4/h5-6,9-11,13,23,25-27H,7-8,12H2,1-4H3 |
| InChI Key | RYQAFUJKFLAMKN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H28O4 |
| Molecular Weight | 392.50 g/mol |
| Exact Mass | 392.19875937 g/mol |
| Topological Polar Surface Area (TPSA) | 58.90 Ų |
| XlogP | 6.40 |
| There are no found synonyms. |
![2D Structure of 2,9-bis(3-methylbut-2-enyl)-10a,11-dihydro-5aH-[1]benzofuro[3,2-b]chromene-3,8-diol](https://plantaedb.com/storage/docs/compounds/2023/11/29-bis3-methylbut-2-enyl-10a11-dihydro-5ah-1benzofuro32-bchromene-38-diol.jpg "2D Structure of 2,9-bis(3-methylbut-2-enyl)-10a,11-dihydro-5aH-[1]benzofuro[3,2-b]chromene-3,8-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 | 99.50% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.89% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.10% | 94.73% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.01% | 85.14% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 91.52% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.37% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.69% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.70% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.45% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.26% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.68% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.46% | 95.56% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.94% | 96.95% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.47% | 92.62% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.49% | 93.99% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 83.34% | 93.40% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 82.52% | 94.80% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.26% | 89.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.93% | 99.15% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 80.18% | 96.12% |
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.
| Erythrina variegata |
| PubChem | 163022632 |
| LOTUS | LTS0082147 |
| wikiData | Q105247872 |