Gargalol B
| Internal ID | 45ec26c7-18d2-4cec-933d-16c21a64d717 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Ergostane steroids |
| IUPAC Name | 8-(5,6-dimethylhept-3-en-2-yl)-16-hydroxy-9,13-dimethyl-18,19-dioxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-4-en-3-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H42O4/c1-17(2)18(3)7-8-19(4)21-9-10-22-24-23(30)16-27-15-20(29)11-12-26(27,6)28(24,32-31-27)14-13-25(21,22)5/h7-8,17-21,29H,9-16H2,1-6H3 |
| InChI Key | LJBJXGTWGWODIW-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C28H42O4 |
| Molecular Weight | 442.60 g/mol |
| Exact Mass | 442.30830982 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 5.10 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.66% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.14% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.00% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.83% | 96.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 92.74% | 95.93% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 91.46% | 91.07% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.29% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.93% | 99.23% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.74% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.99% | 97.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.88% | 82.69% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.34% | 97.14% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.97% | 94.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.28% | 89.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.69% | 90.17% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 84.52% | 93.04% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.14% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.81% | 100.00% |
| CHEMBL4444 | P04070 | Vitamin K-dependent protein C | 82.31% | 93.89% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 82.00% | 95.71% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.97% | 97.25% |
| CHEMBL2730 | P21980 | Protein-glutamine gamma-glutamyltransferase | 80.95% | 92.38% |
| CHEMBL2959 | Q08881 | Tyrosine-protein kinase ITK/TSK | 80.72% | 95.00% |
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.
| There are no matching plants. |
| PubChem | 76155746 |
| LOTUS | LTS0125016 |
| wikiData | Q77573779 |