(6R)-6-[(1S,2R)-2-[(1E,3R,4S,6Z)-3,4-dihydroxydodeca-1,6-dienyl]cyclopropyl]oxan-2-one
| Internal ID | b0f5a4a9-8d97-4a48-8835-3d3ff3f6f9d0 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols |
| IUPAC Name | (6R)-6-[(1S,2R)-2-[(1E,3R,4S,6Z)-3,4-dihydroxydodeca-1,6-dienyl]cyclopropyl]oxan-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H32O4/c1-2-3-4-5-6-7-9-17(21)18(22)13-12-15-14-16(15)19-10-8-11-20(23)24-19/h6-7,12-13,15-19,21-22H,2-5,8-11,14H2,1H3/b7-6-,13-12+/t15-,16-,17-,18+,19+/m0/s1 |
| InChI Key | GUCRVQJMZMFWEY-VBBTXEEJSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H32O4 |
| Molecular Weight | 336.50 g/mol |
| Exact Mass | 336.23005950 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 3.70 |
| There are no found synonyms. |
![2D Structure of (6R)-6-[(1S,2R)-2-[(1E,3R,4S,6Z)-3,4-dihydroxydodeca-1,6-dienyl]cyclopropyl]oxan-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/6r-6-1s2r-2-1e3r4s6z-34-dihydroxydodeca-16-dienylcyclopropyloxan-2-one.jpg "2D Structure of (6R)-6-[(1S,2R)-2-[(1E,3R,4S,6Z)-3,4-dihydroxydodeca-1,6-dienyl]cyclopropyl]oxan-2-one")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.51% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.76% | 97.25% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.00% | 99.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.49% | 97.09% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 91.34% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.24% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.76% | 91.11% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.19% | 93.56% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.32% | 95.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 88.00% | 100.00% |
| CHEMBL240 | Q12809 | HERG | 86.95% | 89.76% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 85.17% | 98.75% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 84.30% | 97.29% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 83.63% | 92.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.31% | 99.23% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 82.65% | 92.88% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 82.29% | 96.38% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 81.94% | 85.94% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.56% | 90.71% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 80.52% | 96.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 10449687 |
| LOTUS | LTS0185483 |
| wikiData | Q105020011 |