(6aS,11aS)-2,10-bis(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
| Internal ID | 2e702776-f202-468a-b109-02111260fae0 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Furanoisoflavonoids > Pterocarpans |
| IUPAC Name | (6aS,11aS)-2,10-bis(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol |
| SMILES (Canonical) | CC(=CCC1=CC2=C(C=C1O)OCC3C2OC4=C3C=CC(=C4CC=C(C)C)O)C |
| SMILES (Isomeric) | CC(=CCC1=CC2=C(C=C1O)OC[C@H]3[C@@H]2OC4=C3C=CC(=C4CC=C(C)C)O)C |
| InChI | InChI=1S/C25H28O4/c1-14(2)5-7-16-11-19-23(12-22(16)27)28-13-20-17-9-10-21(26)18(8-6-15(3)4)24(17)29-25(19)20/h5-6,9-12,20,25-27H,7-8,13H2,1-4H3/t20-,25-/m1/s1 |
| InChI Key | LDKAMVCGTURXMH-CJFMBICVSA-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 | 6.10 |
| There are no found synonyms. |
![2D Structure of (6aS,11aS)-2,10-bis(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol](https://plantaedb.com/storage/docs/compounds/2023/11/6as11as-210-bis3-methylbut-2-enyl-6a11a-dihydro-6h-1benzofuro32-cchromene-39-diol.jpg "2D Structure of (6aS,11aS)-2,10-bis(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-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 | 99.52% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.46% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.08% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.60% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.96% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.40% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.01% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.56% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 86.90% | 91.49% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 86.54% | 95.93% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 86.24% | 94.80% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.20% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 85.28% | 93.40% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.01% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.51% | 89.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.95% | 99.15% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.44% | 92.62% |
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.
| PubChem | 124351123 |
| LOTUS | LTS0038747 |
| wikiData | Q104249739 |