(3R,11R)-3,7,21-trihydroxy-17,17-dimethyl-14-(3-methylbut-2-enyl)-10,12,16-trioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),4(9),5,7,14,18,20-heptaen-2-one
| Internal ID | d76e1526-a850-4dcd-a6a4-b8c545c29cba |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanones > 8-prenylated isoflavanones |
| IUPAC Name | (3R,11R)-3,7,21-trihydroxy-17,17-dimethyl-14-(3-methylbut-2-enyl)-10,12,16-trioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),4(9),5,7,14,18,20-heptaen-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H24O7/c1-12(2)5-7-15-20-14(9-10-24(3,4)32-20)19(27)18-21(15)31-23-25(29,22(18)28)16-8-6-13(26)11-17(16)30-23/h5-6,8-11,23,26-27,29H,7H2,1-4H3/t23-,25+/m1/s1 |
| InChI Key | DQNIDSLDXGTEPL-NOZRDPDXSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C25H24O7 |
| Molecular Weight | 436.50 g/mol |
| Exact Mass | 436.15220310 g/mol |
| Topological Polar Surface Area (TPSA) | 105.00 Ų |
| XlogP | 4.90 |
| There are no found synonyms. |
![2D Structure of (3R,11R)-3,7,21-trihydroxy-17,17-dimethyl-14-(3-methylbut-2-enyl)-10,12,16-trioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),4(9),5,7,14,18,20-heptaen-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/ef48d520-85c1-11ee-995b-f77cc1fd3cff.jpg "2D Structure of (3R,11R)-3,7,21-trihydroxy-17,17-dimethyl-14-(3-methylbut-2-enyl)-10,12,16-trioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),4(9),5,7,14,18,20-heptaen-2-one")
| 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 | 99.57% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.86% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.53% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.09% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.00% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.71% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.46% | 86.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.15% | 91.49% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 88.59% | 80.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.86% | 96.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.21% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.05% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.17% | 100.00% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 81.82% | 97.28% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 81.05% | 95.71% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.39% | 99.15% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 80.25% | 98.59% |
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 senegalensis |
| PubChem | 51542657 |
| LOTUS | LTS0072028 |
| wikiData | Q104987044 |