[(1R,2R,3R,4S)-2-[2-(furan-3-yl)ethyl]-2,4-dimethyl-3-pentylcyclohexyl]methanol
| Internal ID | 22cf22bf-8a5e-48f4-8bb4-b727fafa565f |
| Taxonomy | Organoheterocyclic compounds > Heteroaromatic compounds |
| IUPAC Name | [(1R,2R,3R,4S)-2-[2-(furan-3-yl)ethyl]-2,4-dimethyl-3-pentylcyclohexyl]methanol |
| SMILES (Canonical) | CCCCCC1C(CCC(C1(C)CCC2=COC=C2)CO)C |
| SMILES (Isomeric) | CCCCC[C@@H]1[C@H](CC[C@H]([C@]1(C)CCC2=COC=C2)CO)C |
| InChI | InChI=1S/C20H34O2/c1-4-5-6-7-19-16(2)8-9-18(14-21)20(19,3)12-10-17-11-13-22-15-17/h11,13,15-16,18-19,21H,4-10,12,14H2,1-3H3/t16-,18-,19+,20-/m0/s1 |
| InChI Key | ORUREDYVXRGBQM-FFGOWVMKSA-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) | 33.40 Ų |
| XlogP | 6.40 |
| There are no found synonyms. |
![2D Structure of [(1R,2R,3R,4S)-2-[2-(furan-3-yl)ethyl]-2,4-dimethyl-3-pentylcyclohexyl]methanol](https://plantaedb.com/storage/docs/compounds/2023/11/1r2r3r4s-2-2-furan-3-ylethyl-24-dimethyl-3-pentylcyclohexylmethanol.jpg "2D Structure of [(1R,2R,3R,4S)-2-[2-(furan-3-yl)ethyl]-2,4-dimethyl-3-pentylcyclohexyl]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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.57% | 83.82% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.87% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.09% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.63% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.47% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.67% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.09% | 86.33% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 86.88% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.56% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.07% | 99.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.57% | 93.56% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 82.85% | 97.79% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.28% | 95.89% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.45% | 95.50% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 80.75% | 92.86% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 80.10% | 96.25% |
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.
| Tinospora cordifolia |
| PubChem | 162903500 |
| LOTUS | LTS0054339 |
| wikiData | Q105198460 |