3-(2,2-Dimethylchromen-6-yl)-5,7-dihydroxy-6,8-bis(3-methylbut-2-enyl)chromen-4-one
| Internal ID | c7162be9-ad46-4fc1-8233-3ac8276d27b3 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanones > 6-prenylated isoflavanones |
| IUPAC Name | 3-(2,2-dimethylchromen-6-yl)-5,7-dihydroxy-6,8-bis(3-methylbut-2-enyl)chromen-4-one |
| SMILES (Canonical) | CC(=CCC1=C(C(=C2C(=C1O)C(=O)C(=CO2)C3=CC4=C(C=C3)OC(C=C4)(C)C)CC=C(C)C)O)C |
| SMILES (Isomeric) | CC(=CCC1=C(C(=C2C(=C1O)C(=O)C(=CO2)C3=CC4=C(C=C3)OC(C=C4)(C)C)CC=C(C)C)O)C |
| InChI | InChI=1S/C30H32O5/c1-17(2)7-10-21-26(31)22(11-8-18(3)4)29-25(27(21)32)28(33)23(16-34-29)19-9-12-24-20(15-19)13-14-30(5,6)35-24/h7-9,12-16,31-32H,10-11H2,1-6H3 |
| InChI Key | DBKOJBOTCYRWCW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H32O5 |
| Molecular Weight | 472.60 g/mol |
| Exact Mass | 472.22497412 g/mol |
| Topological Polar Surface Area (TPSA) | 76.00 Ų |
| XlogP | 7.80 |
| 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 | 99.39% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.16% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.55% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.73% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.79% | 86.33% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 91.56% | 89.34% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 91.31% | 91.49% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.45% | 94.73% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 87.74% | 97.28% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.59% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.22% | 94.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.75% | 94.75% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 84.25% | 91.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.03% | 90.00% |
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.
| Spirotropis longifolia |
| PubChem | 56958434 |
| LOTUS | LTS0127691 |
| wikiData | Q104974524 |