Faradiol-3-O-myristate
| Internal ID | 90c0e940-2352-4a40-a336-c4703a2777c6 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | [(3S,4aR,6aR,6aR,6bR,8S,8aS,12S,12aR,14aR,14bR)-8-hydroxy-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,6a,7,8,9,12,12a,13,14,14a-tetradecahydro-1H-picen-3-yl] tetradecanoate |
| SMILES (Canonical) | CCCCCCCCCCCCCC(=O)OC1CCC2(C3CCC4C5C(C(=CCC5(C(CC4(C3(CCC2C1(C)C)C)C)O)C)C)C)C |
| SMILES (Isomeric) | CCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@@H]4[C@H]5[C@@H](C(=CC[C@@]5([C@H](C[C@]4([C@@]3(CC[C@H]2C1(C)C)C)C)O)C)C)C)C |
| InChI | InChI=1S/C44H76O3/c1-10-11-12-13-14-15-16-17-18-19-20-21-38(46)47-37-26-28-41(6)34(40(37,4)5)25-29-43(8)35(41)23-22-33-39-32(3)31(2)24-27-42(39,7)36(45)30-44(33,43)9/h24,32-37,39,45H,10-23,25-30H2,1-9H3/t32-,33-,34+,35-,36+,37+,39-,41+,42-,43-,44-/m1/s1 |
| InChI Key | NBOLCRCNSYVBMT-JVFFPKSBSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C44H76O3 |
| Molecular Weight | 653.10 g/mol |
| Exact Mass | 652.57944628 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 14.40 |
| Faradiol 3-myristate |
| Faradiol 3-monomyristate |
| RK5P79M6DQ |
| 193690-82-3 |
| UNII-RK5P79M6DQ |
| ((3S,4aR,6aR,6aR,6bR,8S,8aS,12S,12aR,14aR,14bR)-8-Hydroxy-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,6a,7,8,9,12,12a,13,14,14a-tetradecahydro-1H-picen-3-yl) tetradecanoate |
| URS-20-ene-3,16-diol, 3-tetradecanoate, (3beta,16beta,18alpha,19alpha)- |
| DTXSID501198792 |
| URS-20-ENE-3,16-DIOL, 3-TETRADECANOATE, (3.BETA.,16.BETA.,18.ALPHA.,19.ALPHA.)- |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.07% | 96.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 96.66% | 97.79% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.22% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.60% | 97.25% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.77% | 99.17% |
| CHEMBL1871 | P10275 | Androgen Receptor | 92.12% | 96.43% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 90.68% | 92.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 90.56% | 100.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 90.24% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.83% | 95.56% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 88.11% | 92.86% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.83% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.38% | 90.17% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.37% | 100.00% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 87.17% | 98.03% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.01% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.99% | 86.33% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.66% | 92.94% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 83.62% | 96.61% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.36% | 95.89% |
| CHEMBL5028 | O14672 | ADAM10 | 83.08% | 97.50% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.01% | 82.69% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.63% | 93.56% |
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.
| Arnica lonchophylla |
| PubChem | 11763698 |
| LOTUS | LTS0093244 |
| wikiData | Q105176892 |