7-Hydroxy-6-(2-hydroxy-3-methylbutyl)-3-(4-hydroxyphenyl)-5-methoxy-8-(3-methylbut-2-enyl)chromen-4-one
| Internal ID | 691427cd-48db-416c-84f4-0dd89141da14 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanones > 6-prenylated isoflavanones |
| IUPAC Name | 7-hydroxy-6-(2-hydroxy-3-methylbutyl)-3-(4-hydroxyphenyl)-5-methoxy-8-(3-methylbut-2-enyl)chromen-4-one |
| SMILES (Canonical) | CC(C)C(CC1=C(C2=C(C(=C1O)CC=C(C)C)OC=C(C2=O)C3=CC=C(C=C3)O)OC)O |
| SMILES (Isomeric) | CC(C)C(CC1=C(C2=C(C(=C1O)CC=C(C)C)OC=C(C2=O)C3=CC=C(C=C3)O)OC)O |
| InChI | InChI=1S/C26H30O6/c1-14(2)6-11-18-23(29)19(12-21(28)15(3)4)25(31-5)22-24(30)20(13-32-26(18)22)16-7-9-17(27)10-8-16/h6-10,13,15,21,27-29H,11-12H2,1-5H3 |
| InChI Key | ANFWRPAEMFHYCI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H30O6 |
| Molecular Weight | 438.50 g/mol |
| Exact Mass | 438.20423867 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 5.30 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.74% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.45% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.02% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.01% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.41% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.82% | 94.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.55% | 99.15% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.40% | 89.00% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 87.98% | 93.10% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.26% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.46% | 96.00% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 84.76% | 86.92% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.86% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.45% | 95.56% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 82.41% | 97.28% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.81% | 94.75% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.65% | 95.50% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.96% | 91.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.03% | 95.89% |
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.
| Deguelia scandens |
| PubChem | 163042072 |
| LOTUS | LTS0210095 |
| wikiData | Q104915129 |