(2R)-2-[(2R,6R)-4-ethyl-6-[(E,4S,7S,8R,9R,10S,11S)-4,9,11-trihydroxy-7-methoxy-4,8,10-trimethyl-11-[(2R)-5-methyl-3-oxofuran-2-yl]undec-2-en-2-yl]-3,6-dihydro-2H-pyran-2-yl]propanoic acid
| Internal ID | 8c931a5d-fde6-48f4-b1f8-121bf3cbda89 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols |
| IUPAC Name | (2R)-2-[(2R,6R)-4-ethyl-6-[(E,4S,7S,8R,9R,10S,11S)-4,9,11-trihydroxy-7-methoxy-4,8,10-trimethyl-11-[(2R)-5-methyl-3-oxofuran-2-yl]undec-2-en-2-yl]-3,6-dihydro-2H-pyran-2-yl]propanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H48O9/c1-9-21-13-24(39-25(14-21)19(5)29(34)35)16(2)15-30(7,36)11-10-23(37-8)18(4)26(32)20(6)27(33)28-22(31)12-17(3)38-28/h12-13,15,18-20,23-28,32-33,36H,9-11,14H2,1-8H3,(H,34,35)/b16-15+/t18-,19+,20-,23-,24+,25+,26-,27-,28-,30-/m0/s1 |
| InChI Key | IEWRNTONLPUAQI-NOOXOVJVSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C30H48O9 |
| Molecular Weight | 552.70 g/mol |
| Exact Mass | 552.32983310 g/mol |
| Topological Polar Surface Area (TPSA) | 143.00 Ų |
| XlogP | 3.70 |
| There are no found synonyms. |
![2D Structure of (2R)-2-[(2R,6R)-4-ethyl-6-[(E,4S,7S,8R,9R,10S,11S)-4,9,11-trihydroxy-7-methoxy-4,8,10-trimethyl-11-[(2R)-5-methyl-3-oxofuran-2-yl]undec-2-en-2-yl]-3,6-dihydro-2H-pyran-2-yl]propanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2fc84b90-8650-11ee-b626-b357bf5c0455.jpg "2D Structure of (2R)-2-[(2R,6R)-4-ethyl-6-[(E,4S,7S,8R,9R,10S,11S)-4,9,11-trihydroxy-7-methoxy-4,8,10-trimethyl-11-[(2R)-5-methyl-3-oxofuran-2-yl]undec-2-en-2-yl]-3,6-dihydro-2H-pyran-2-yl]propanoic 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 | 97.31% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.30% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.66% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.67% | 94.73% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.04% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.27% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.05% | 97.25% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.46% | 93.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.07% | 97.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 87.83% | 83.82% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.04% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.47% | 89.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.15% | 90.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.07% | 94.45% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 83.93% | 97.36% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.88% | 96.47% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.04% | 97.14% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.33% | 100.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.48% | 96.90% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.43% | 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.
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| There are no matching plants. |
| PubChem | 162968521 |
| LOTUS | LTS0038938 |
| wikiData | Q105112008 |