Prethyrsenol A
| Internal ID | e69d9b0a-1afc-4338-b902-fed856e8dbae |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (4R,7S)-1-[(2R,3S,6R)-6-[(2S,5R)-5-bromo-2,6,6-trimethyloxan-2-yl]-3-hydroxy-3-methyloxan-2-yl]-4,7-dihydroxy-4-(hydroxymethyl)-7-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]heptan-3-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H53BrO9/c1-25(2,35)22-13-16-28(6,39-22)20(33)11-17-30(37,18-32)21(34)8-9-23-27(5,36)14-12-24(38-23)29(7)15-10-19(31)26(3,4)40-29/h19-20,22-24,32-33,35-37H,8-18H2,1-7H3/t19-,20+,22-,23-,24-,27+,28-,29+,30-/m1/s1 |
| InChI Key | XJSFNGPNIJKOBD-ROPSBFFGSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C30H53BrO9 |
| Molecular Weight | 637.60 g/mol |
| Exact Mass | 636.28730 g/mol |
| Topological Polar Surface Area (TPSA) | 146.00 Ų |
| XlogP | 1.50 |
| CHEMBL1806662 |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.69% | 97.25% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 98.53% | 96.61% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.97% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.03% | 91.11% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 93.03% | 98.05% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 92.53% | 92.29% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 92.42% | 89.05% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.00% | 97.09% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 90.60% | 89.63% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.46% | 98.95% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 89.38% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.10% | 89.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.89% | 97.14% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 87.39% | 96.21% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.70% | 91.19% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.48% | 85.14% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.72% | 96.95% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 85.11% | 95.50% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.54% | 92.94% |
| CHEMBL2842 | P42345 | Serine/threonine-protein kinase mTOR | 83.43% | 92.78% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 83.14% | 98.75% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 82.65% | 100.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 82.11% | 93.04% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 82.08% | 94.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.19% | 96.90% |
| CHEMBL1871 | P10275 | Androgen Receptor | 81.07% | 96.43% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.84% | 100.00% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 80.81% | 98.33% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.76% | 100.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.73% | 96.47% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 80.67% | 82.50% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 80.63% | 97.33% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 80.56% | 95.71% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 80.14% | 97.47% |
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.
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| There are no matching plants. |
| PubChem | 53377320 |
| LOTUS | LTS0077539 |
| wikiData | Q105329178 |