Nepheliosyne A
| Internal ID | c9cda12b-8e1b-41f2-b854-327aaf1a462a |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Very long-chain fatty acids |
| IUPAC Name | (26Z,39E,43E)-4,6,17,31,34,37,42,45-octahydroxy-16-oxoheptatetraconta-26,39,43-trien-2,32,35,46-tetraynoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C47H70O11/c1-2-38(48)29-30-40(50)24-21-22-25-41(51)32-34-42(52)33-31-39(49)23-17-13-9-6-4-3-5-7-11-15-19-27-45(55)46(56)28-20-16-12-8-10-14-18-26-43(53)37-44(54)35-36-47(57)58/h1,6,9,21-22,29-30,38-45,48-55H,3-5,7-8,10-20,23-28,37H2,(H,57,58)/b9-6-,22-21+,30-29+ |
| InChI Key | KRUXMXQCPNUFNI-JJOPJJRMSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C47H70O11 |
| Molecular Weight | 811.00 g/mol |
| Exact Mass | 810.49181304 g/mol |
| Topological Polar Surface Area (TPSA) | 216.00 Ų |
| XlogP | 6.40 |
| CHEMBL443675 |
| 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 |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.77% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.02% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.44% | 90.17% |
| CHEMBL240 | Q12809 | HERG | 94.95% | 89.76% |
| CHEMBL203 | P00533 | Epidermal growth factor receptor erbB1 | 91.07% | 97.34% |
| CHEMBL236 | P41143 | Delta opioid receptor | 90.62% | 99.35% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 88.90% | 97.29% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 88.27% | 95.17% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 88.08% | 89.63% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.87% | 96.09% |
| CHEMBL233 | P35372 | Mu opioid receptor | 87.63% | 97.93% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.12% | 91.11% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 86.62% | 95.92% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.98% | 96.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.24% | 100.00% |
| CHEMBL1829 | O15379 | Histone deacetylase 3 | 83.92% | 95.00% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 83.65% | 85.94% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.75% | 100.00% |
| CHEMBL3629 | P68400 | Casein kinase II alpha | 82.35% | 98.89% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.12% | 93.56% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 80.51% | 100.00% |
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 | 44559664 |
| LOTUS | LTS0079805 |
| wikiData | Q105145253 |