Varodiol
| Internal ID | 711e9838-0585-4e7a-834e-f7333227682e |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (2R,3S,4aS,6aS,8R,10aR,10bS)-3-ethenyl-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromene-2,8-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H34O3/c1-7-19(5)16(22)12-14-18(4)10-9-15(21)17(2,3)13(18)8-11-20(14,6)23-19/h7,13-16,21-22H,1,8-12H2,2-6H3/t13-,14+,15-,16-,18-,19+,20+/m1/s1 |
| InChI Key | LYERZHNUEQDXPY-QWLKJYMTSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H34O3 |
| Molecular Weight | 322.50 g/mol |
| Exact Mass | 322.25079494 g/mol |
| Topological Polar Surface Area (TPSA) | 49.70 Ų |
| XlogP | 3.40 |
| CHEMBL508070 |
| 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 | 95.47% | 91.11% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 90.66% | 95.58% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.46% | 97.09% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 88.45% | 98.10% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 87.49% | 98.35% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.04% | 100.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.12% | 92.94% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 83.58% | 85.11% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.38% | 82.69% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 83.30% | 89.05% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.11% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.37% | 95.89% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.71% | 90.17% |
| CHEMBL233 | P35372 | Mu opioid receptor | 81.55% | 97.93% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.31% | 97.25% |
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 | 13970303 |
| LOTUS | LTS0222185 |
| wikiData | Q105159269 |