17-Methyl-17-(4-methylpent-3-enyl)-4,12,18-trioxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(21),5(10),6,8,13,19-hexaene-7,16,20-triol
| Internal ID | 3453e7e4-0e82-47f8-b3b7-9ec598cdbd8d |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Furanoisoflavonoids > Pterocarpans |
| IUPAC Name | 17-methyl-17-(4-methylpent-3-enyl)-4,12,18-trioxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(21),5(10),6,8,13,19-hexaene-7,16,20-triol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H28O6/c1-13(2)5-4-8-25(3)21(28)11-17-23-16(10-19(27)24(17)31-25)18-12-29-20-9-14(26)6-7-15(20)22(18)30-23/h5-7,9-10,18,21-22,26-28H,4,8,11-12H2,1-3H3 |
| InChI Key | MVDMPADXXDHNOL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H28O6 |
| Molecular Weight | 424.50 g/mol |
| Exact Mass | 424.18858861 g/mol |
| Topological Polar Surface Area (TPSA) | 88.40 Ų |
| XlogP | 4.20 |
| There are no found synonyms. |
![2D Structure of 17-Methyl-17-(4-methylpent-3-enyl)-4,12,18-trioxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(21),5(10),6,8,13,19-hexaene-7,16,20-triol](https://plantaedb.com/storage/docs/compounds/2023/11/bd2e2e80-873a-11ee-9ff0-4d3347bf7a22.jpg "2D Structure of 17-Methyl-17-(4-methylpent-3-enyl)-4,12,18-trioxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(21),5(10),6,8,13,19-hexaene-7,16,20-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 | 99.50% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.50% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.93% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.50% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.79% | 86.33% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 91.56% | 93.40% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.09% | 85.14% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.49% | 94.73% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 88.84% | 95.93% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.46% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.12% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.70% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.07% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.59% | 89.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.95% | 93.56% |
| CHEMBL236 | P41143 | Delta opioid receptor | 81.97% | 99.35% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 80.52% | 96.39% |
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 homoloba |
| PubChem | 101040109 |
| LOTUS | LTS0132294 |
| wikiData | Q105172949 |