6,7,21-Trihydroxy-17,17-dimethyl-20-(3-methylbut-2-enyl)-10,12,18-trioxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(21),3(11),4,6,8,13,15,19-octaen-2-one
| Internal ID | e1f3ecc1-a0ce-4acf-a588-b47efcacc3f0 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanones > 6-prenylated isoflavanones |
| IUPAC Name | 6,7,21-trihydroxy-17,17-dimethyl-20-(3-methylbut-2-enyl)-10,12,18-trioxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(21),3(11),4,6,8,13,15,19-octaen-2-one |
| SMILES (Canonical) | CC(=CCC1=C2C(=C3C(=C1O)C(=O)C4=C(O3)OC5=CC(=C(C=C54)O)O)C=CC(O2)(C)C)C |
| SMILES (Isomeric) | CC(=CCC1=C2C(=C3C(=C1O)C(=O)C4=C(O3)OC5=CC(=C(C=C54)O)O)C=CC(O2)(C)C)C |
| InChI | InChI=1S/C25H22O7/c1-11(2)5-6-12-20(28)19-21(29)18-14-9-15(26)16(27)10-17(14)30-24(18)31-23(19)13-7-8-25(3,4)32-22(12)13/h5,7-10,26-28H,6H2,1-4H3 |
| InChI Key | DKANPMJXHMVDJD-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C25H22O7 |
| Molecular Weight | 434.40 g/mol |
| Exact Mass | 434.13655304 g/mol |
| Topological Polar Surface Area (TPSA) | 109.00 Ų |
| XlogP | 6.00 |
| There are no found synonyms. |
![2D Structure of 6,7,21-Trihydroxy-17,17-dimethyl-20-(3-methylbut-2-enyl)-10,12,18-trioxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(21),3(11),4,6,8,13,15,19-octaen-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/cbe47320-8658-11ee-b226-6f503e4ae208.jpg "2D Structure of 6,7,21-Trihydroxy-17,17-dimethyl-20-(3-methylbut-2-enyl)-10,12,18-trioxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(21),3(11),4,6,8,13,15,19-octaen-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 | 99.90% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.99% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.82% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.46% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.38% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.66% | 94.73% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 89.20% | 91.38% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 88.21% | 80.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.97% | 94.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.84% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.66% | 95.56% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 85.43% | 89.34% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.20% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.72% | 99.23% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.66% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.48% | 95.89% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.47% | 93.99% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.23% | 99.15% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.94% | 85.14% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.54% | 99.17% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 80.22% | 95.71% |
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.
| Euchresta formosana |
| Euchresta japonica |
| PubChem | 15138439 |
| LOTUS | LTS0129414 |
| wikiData | Q104982964 |