Communiol B
| Internal ID | 1d6c6c7b-1024-4e10-b578-278b2549d93f |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Heterocyclic fatty acids |
| IUPAC Name | (E)-4-[(3R,5S)-5-[(1S)-1-hydroxypropyl]oxolan-3-yl]but-2-enoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C11H18O4/c1-2-9(12)10-6-8(7-15-10)4-3-5-11(13)14/h3,5,8-10,12H,2,4,6-7H2,1H3,(H,13,14)/b5-3+/t8-,9+,10+/m1/s1 |
| InChI Key | JWXVXVPNKJNCSL-WTIWNBOUSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C11H18O4 |
| Molecular Weight | 214.26 g/mol |
| Exact Mass | 214.12050905 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 1.10 |
| (E)-4-[(3R,5S)-5-[(1S)-1-hydroxypropyl]oxolan-3-yl]but-2-enoic Acid |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.62% | 96.09% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 91.26% | 97.64% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.89% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.13% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.24% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.89% | 97.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.39% | 91.19% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.38% | 96.95% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 83.05% | 98.75% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.69% | 99.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.47% | 93.56% |
| CHEMBL1907598 | P05106 | Integrin alpha-V/beta-3 | 81.89% | 95.71% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 80.60% | 96.38% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.38% | 89.50% |
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.
| There are no matching plants. |
| PubChem | 10081960 |
| LOTUS | LTS0131807 |
| wikiData | Q77373607 |