Trichoether D
| Internal ID | 53ed7e59-c54b-43a6-9849-df109b090e9c |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Phenylpropanes |
| IUPAC Name | 2-[[(2S,3S)-4-hexa-2,4-dienylidene-2-methoxy-2-methyloxolan-3-yl]oxymethyl]-3-propylphenol |
| SMILES (Canonical) | CCCC1=C(C(=CC=C1)O)COC2C(=CC=CC=CC)COC2(C)OC |
| SMILES (Isomeric) | CCCC1=C(C(=CC=C1)O)CO[C@H]2C(=CC=CC=CC)CO[C@]2(C)OC |
| InChI | InChI=1S/C22H30O4/c1-5-7-8-9-12-18-15-26-22(3,24-4)21(18)25-16-19-17(11-6-2)13-10-14-20(19)23/h5,7-10,12-14,21,23H,6,11,15-16H2,1-4H3/t21-,22-/m0/s1 |
| InChI Key | CMGDDPIWFSGFBB-VXKWHMMOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H30O4 |
| Molecular Weight | 358.50 g/mol |
| Exact Mass | 358.21440943 g/mol |
| Topological Polar Surface Area (TPSA) | 47.90 Ų |
| XlogP | 4.00 |
| There are no found synonyms. |
| 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 | 99.55% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.76% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.78% | 98.95% |
| CHEMBL233 | P35372 | Mu opioid receptor | 94.59% | 97.93% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.66% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 91.59% | 92.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.70% | 97.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.40% | 94.73% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.57% | 92.94% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.37% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.91% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.77% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.16% | 100.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.13% | 96.95% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.87% | 94.75% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 80.36% | 96.39% |
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 | 139587931 |
| LOTUS | LTS0041029 |
| wikiData | Q104964463 |