(-)-2-epi-Homononactic acid
| Internal ID | 00630bbd-ada9-4d53-9d6b-67f5df34c6ff |
| Taxonomy | Organoheterocyclic compounds > Tetrahydrofurans |
| IUPAC Name | (2S)-2-[5-[(2S)-2-hydroxybutyl]oxolan-2-yl]propanoic acid |
| SMILES (Canonical) | CCC(CC1CCC(O1)C(C)C(=O)O)O |
| SMILES (Isomeric) | CC[C@@H](CC1CCC(O1)[C@H](C)C(=O)O)O |
| InChI | InChI=1S/C11H20O4/c1-3-8(12)6-9-4-5-10(15-9)7(2)11(13)14/h7-10,12H,3-6H2,1-2H3,(H,13,14)/t7-,8-,9?,10?/m0/s1 |
| InChI Key | HTCUURQJNZBKIA-DKEVHCRPSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C11H20O4 |
| Molecular Weight | 216.27 g/mol |
| Exact Mass | 216.13615911 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 1.40 |
| (2S)-2-[5-[(2S)-2-hydroxybutyl]oxolan-2-yl]propanoic acid |
| (2S)-2-(5-((2S)-2-hydroxybutyl)oxolan-2-yl)propanoic acid |
| RefChem:67647 |
| CHEBI:201168 |
| 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 | 95.96% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.09% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.76% | 98.95% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 90.13% | 96.47% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 88.20% | 96.38% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.85% | 95.89% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 87.06% | 98.75% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.99% | 90.17% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.65% | 99.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.16% | 93.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.21% | 97.09% |
| CHEMBL274 | P51681 | C-C chemokine receptor type 5 | 81.70% | 98.77% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.28% | 96.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.62% | 94.73% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.03% | 90.71% |
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 | 139584250 |
| LOTUS | LTS0073218 |
| wikiData | Q77281479 |