(1R,2S,4S,5S)-2-methoxy-5-[(1R)-1-phenylprop-2-enyl]cyclohexane-1,4-diol
| Internal ID | 4d8aaa46-4884-423b-a4c7-150f0c06f4f1 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Secondary alcohols > Cyclohexanols |
| IUPAC Name | (1R,2S,4S,5S)-2-methoxy-5-[(1R)-1-phenylprop-2-enyl]cyclohexane-1,4-diol |
| SMILES (Canonical) | COC1CC(C(CC1O)C(C=C)C2=CC=CC=C2)O |
| SMILES (Isomeric) | CO[C@H]1C[C@@H]([C@@H](C[C@H]1O)[C@@H](C=C)C2=CC=CC=C2)O |
| InChI | InChI=1S/C16H22O3/c1-3-12(11-7-5-4-6-8-11)13-9-15(18)16(19-2)10-14(13)17/h3-8,12-18H,1,9-10H2,2H3/t12-,13-,14-,15+,16-/m0/s1 |
| InChI Key | ALWFGDVUNCQWQU-GVRJEKJASA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C16H22O3 |
| Molecular Weight | 262.34 g/mol |
| Exact Mass | 262.15689456 g/mol |
| Topological Polar Surface Area (TPSA) | 49.70 Ų |
| XlogP | 2.20 |
| There are no found synonyms. |
![2D Structure of (1R,2S,4S,5S)-2-methoxy-5-[(1R)-1-phenylprop-2-enyl]cyclohexane-1,4-diol](https://plantaedb.com/storage/docs/compounds/2023/11/1r2s4s5s-2-methoxy-5-1r-1-phenylprop-2-enylcyclohexane-14-diol.jpg "2D Structure of (1R,2S,4S,5S)-2-methoxy-5-[(1R)-1-phenylprop-2-enyl]cyclohexane-1,4-diol")
| 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 |
|---|---|---|---|---|
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 95.64% | 94.08% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.90% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.77% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.56% | 90.17% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 92.36% | 94.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.67% | 95.56% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 90.32% | 94.23% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.35% | 98.95% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.04% | 95.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.23% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.70% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.92% | 97.09% |
| CHEMBL5028 | O14672 | ADAM10 | 80.83% | 97.50% |
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.
| Dalbergia sissoo |
| PubChem | 11380002 |
| LOTUS | LTS0080986 |
| wikiData | Q104914396 |