2-(3-hydroxy-3-methylbutyl)-10-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
| Internal ID | 9410c16d-c5aa-4034-a997-a9c5a5041ade |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Furanoisoflavonoids > Pterocarpans |
| IUPAC Name | 2-(3-hydroxy-3-methylbutyl)-10-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol |
| SMILES (Canonical) | CC(=CCC1=C(C=CC2=C1OC3C2COC4=C3C=C(C(=C4)O)CCC(C)(C)O)O)C |
| SMILES (Isomeric) | CC(=CCC1=C(C=CC2=C1OC3C2COC4=C3C=C(C(=C4)O)CCC(C)(C)O)O)C |
| InChI | InChI=1S/C25H30O5/c1-14(2)5-6-17-20(26)8-7-16-19-13-29-22-12-21(27)15(9-10-25(3,4)28)11-18(22)24(19)30-23(16)17/h5,7-8,11-12,19,24,26-28H,6,9-10,13H2,1-4H3 |
| InChI Key | VTLAWTXYJBLWSZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H30O5 |
| Molecular Weight | 410.50 g/mol |
| Exact Mass | 410.20932405 g/mol |
| Topological Polar Surface Area (TPSA) | 79.20 Ų |
| XlogP | 4.80 |
| There are no found synonyms. |
![2D Structure of 2-(3-hydroxy-3-methylbutyl)-10-(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/b2229ab0-8639-11ee-b1f3-8d4aa4ba033d.jpg "2D Structure of 2-(3-hydroxy-3-methylbutyl)-10-(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 | 99.75% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 95.25% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.66% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.63% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.58% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.92% | 97.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 89.13% | 95.93% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.81% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.17% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.09% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.73% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.59% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.80% | 95.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.75% | 99.15% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 84.69% | 96.12% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 84.57% | 93.40% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.98% | 96.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.01% | 91.49% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.19% | 92.62% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.26% | 89.62% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.13% | 100.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.02% | 99.17% |
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.
| Lespedeza cyrtobotrya |
| PubChem | 56674233 |
| LOTUS | LTS0093525 |
| wikiData | Q105292819 |