19-Hydroxy-13-epimanoyl oxide
| Internal ID | 835e9d00-5f22-4c0c-87a0-975716ad6031 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (3-ethenyl-3,4a,7,10a-tetramethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-7-yl)methanol |
| SMILES (Canonical) | CC1(CCCC2(C1CCC3(C2CCC(O3)(C)C=C)C)C)CO |
| SMILES (Isomeric) | CC1(CCCC2(C1CCC3(C2CCC(O3)(C)C=C)C)C)CO |
| InChI | InChI=1S/C20H34O2/c1-6-18(3)12-8-16-19(4)11-7-10-17(2,14-21)15(19)9-13-20(16,5)22-18/h6,15-16,21H,1,7-14H2,2-5H3 |
| InChI Key | MONXCRDSDZQGGT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H34O2 |
| Molecular Weight | 306.50 g/mol |
| Exact Mass | 306.255880323 g/mol |
| Topological Polar Surface Area (TPSA) | 29.50 Ų |
| XlogP | 4.50 |
| MONXCRDSDZQGGT-UHFFFAOYSA-N |
| (3,4a,7,10a-Tetramethyl-3-vinyldodecahydro-1H-benzo[f]chromen-7-yl)methanol # |
| 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 | 95.00% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.73% | 97.25% |
| CHEMBL233 | P35372 | Mu opioid receptor | 90.39% | 97.93% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.49% | 97.09% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 88.30% | 98.10% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 87.89% | 95.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.98% | 95.89% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.77% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.30% | 92.94% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 83.88% | 99.43% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.71% | 92.62% |
| CHEMBL5600 | P27448 | Serine/threonine-protein kinase c-TAK1 | 81.88% | 88.81% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.66% | 100.00% |
| CHEMBL5555 | O00767 | Acyl-CoA desaturase | 81.54% | 97.50% |
| CHEMBL4072 | P07858 | Cathepsin B | 80.71% | 93.67% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 80.64% | 95.38% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 80.48% | 96.61% |
| CHEMBL4370 | P16662 | UDP-glucuronosyltransferase 2B7 | 80.35% | 100.00% |
| CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 80.07% | 99.29% |
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.
| Baccharis tola |
| Grindelia scorzonerifolia |
| Polemonium viscosum |
| Sagittaria trifolia |
| Stevia rebaudiana |
| PubChem | 626002 |
| LOTUS | LTS0219124 |
| wikiData | Q105169019 |