Gymnoprenol A9
| Internal ID | 94092d65-3e4a-480e-a8e0-9eb5137caf19 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Polyprenols |
| IUPAC Name | (6E,10E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-6,10,34-triene-1,2,3,15,19,23,27,31-octol |
| SMILES (Canonical) | CC(=CCCC(C)(CCCC(C)(CCCC(C)(CCCC(C)(CCCC(C)(CCCC(=CCCC(=CCCC(C)(C(CO)O)O)C)C)O)O)O)O)O)C |
| SMILES (Isomeric) | CC(=CCCC(C)(CCCC(C)(CCCC(C)(CCCC(C)(CCCC(C)(CCC/C(=C/CC/C(=C/CCC(C)(C(CO)O)O)/C)/C)O)O)O)O)O)C |
| InChI | InChI=1S/C45H86O8/c1-36(2)19-12-24-40(5,48)26-15-28-42(7,50)30-17-32-44(9,52)33-18-31-43(8,51)29-16-27-41(6,49)25-13-22-37(3)20-11-21-38(4)23-14-34-45(10,53)39(47)35-46/h19-20,23,39,46-53H,11-18,21-22,24-35H2,1-10H3/b37-20+,38-23+ |
| InChI Key | ODYQWBQQODHSHH-JZYBSQCASA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C45H86O8 |
| Molecular Weight | 755.20 g/mol |
| Exact Mass | 754.63226970 g/mol |
| Topological Polar Surface Area (TPSA) | 162.00 Ų |
| XlogP | 7.70 |
| 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 |
|---|---|---|---|---|
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 96.09% | 92.08% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.13% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.51% | 94.73% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 90.97% | 97.29% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.80% | 96.09% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 89.10% | 97.21% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.61% | 97.25% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 85.04% | 96.90% |
| CHEMBL2815 | P04629 | Nerve growth factor receptor Trk-A | 84.50% | 87.16% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.90% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.52% | 99.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.73% | 85.14% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.59% | 96.95% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 81.86% | 98.75% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.97% | 93.56% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 80.93% | 92.88% |
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 | 101316470 |
| LOTUS | LTS0074441 |
| wikiData | Q75065097 |