Sterostrein W
| Internal ID | ecac4d7f-e456-40d5-982f-f9c46a0180e8 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 2-benzopyrans |
| IUPAC Name | 1-butoxy-5,7,7-trimethyl-6,8-dihydro-1H-cyclopenta[g]isochromen-4-one |
| SMILES (Canonical) | CCCCOC1C2=C(C(=C3CC(CC3=C2)(C)C)C)C(=O)CO1 |
| SMILES (Isomeric) | CCCCOC1C2=C(C(=C3CC(CC3=C2)(C)C)C)C(=O)CO1 |
| InChI | InChI=1S/C19H26O3/c1-5-6-7-21-18-14-8-13-9-19(3,4)10-15(13)12(2)17(14)16(20)11-22-18/h8,18H,5-7,9-11H2,1-4H3 |
| InChI Key | DOKOLBFTFTWGCO-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C19H26O3 |
| Molecular Weight | 302.40 g/mol |
| Exact Mass | 302.18819469 g/mol |
| Topological Polar Surface Area (TPSA) | 35.50 Ų |
| XlogP | 4.20 |
| 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 |
|---|---|---|---|---|
| CHEMBL240 | Q12809 | HERG | 98.89% | 89.76% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.82% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.35% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.55% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.68% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.67% | 96.09% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 92.27% | 93.31% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.57% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.29% | 99.17% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 88.92% | 96.21% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.62% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.00% | 90.71% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.13% | 97.09% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 85.02% | 98.59% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 84.95% | 93.18% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.67% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.47% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.09% | 95.89% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.69% | 93.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.61% | 92.62% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 80.61% | 80.33% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.56% | 95.89% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 80.41% | 94.80% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.22% | 93.40% |
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.
| There are no matching plants. |
| PubChem | 146683992 |
| LOTUS | LTS0042006 |
| wikiData | Q104986029 |