3-(1,3-Benzodioxol-5-yl)-7-(3,7-dimethylocta-2,6-dienoxy)chromen-4-one
| Internal ID | 3ba8c7f3-2cbd-4182-9a21-22494f567ade |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflav-2-enes > Isoflavones |
| IUPAC Name | 3-(1,3-benzodioxol-5-yl)-7-(3,7-dimethylocta-2,6-dienoxy)chromen-4-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H26O5/c1-17(2)5-4-6-18(3)11-12-28-20-8-9-21-24(14-20)29-15-22(26(21)27)19-7-10-23-25(13-19)31-16-30-23/h5,7-11,13-15H,4,6,12,16H2,1-3H3 |
| InChI Key | SGXJZIPHRSORAX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H26O5 |
| Molecular Weight | 418.50 g/mol |
| Exact Mass | 418.17802393 g/mol |
| Topological Polar Surface Area (TPSA) | 54.00 Ų |
| XlogP | 6.30 |
| 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 |
|---|---|---|---|---|
| CHEMBL2039 | P27338 | Monoamine oxidase B | 99.29% | 92.51% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.26% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.38% | 98.95% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 96.25% | 96.77% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.12% | 89.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 93.72% | 94.80% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.70% | 99.17% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 93.60% | 92.08% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.48% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.27% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.77% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.22% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.47% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.78% | 96.00% |
| CHEMBL240 | Q12809 | HERG | 88.11% | 89.76% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 88.03% | 95.78% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.49% | 90.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.15% | 92.62% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 84.47% | 96.09% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 84.38% | 93.31% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 82.31% | 96.12% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.21% | 95.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.72% | 97.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.72% | 99.15% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.63% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.41% | 95.89% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 80.35% | 80.78% |
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.
| Millettia griffoniana |
| PubChem | 162978487 |
| LOTUS | LTS0121723 |
| wikiData | Q105252692 |