Lepadin F
| Internal ID | 898609a2-0186-4edb-a65e-f3f39348506e |
| Taxonomy | Organoheterocyclic compounds > Quinolidines |
| IUPAC Name | [(2S,3S,4aR,5R,8aS)-5-(5-hydroxyoctyl)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-3-yl] (E)-oct-2-enoate |
| SMILES (Canonical) | CCCCCC=CC(=O)OC1CC2C(CCCC2NC1C)CCCCC(CCC)O |
| SMILES (Isomeric) | CCCCC/C=C/C(=O)O[C@H]1C[C@@H]2[C@@H](CCC[C@@H]2N[C@H]1C)CCCCC(CCC)O |
| InChI | InChI=1S/C26H47NO3/c1-4-6-7-8-9-18-26(29)30-25-19-23-21(14-10-11-16-22(28)13-5-2)15-12-17-24(23)27-20(25)3/h9,18,20-25,27-28H,4-8,10-17,19H2,1-3H3/b18-9+/t20-,21+,22?,23+,24-,25-/m0/s1 |
| InChI Key | QNAATLGQMSSVEO-BBLREVCQSA-N |
| Popularity | 6 references in papers |
| Molecular Formula | C26H47NO3 |
| Molecular Weight | 421.70 g/mol |
| Exact Mass | 421.35559436 g/mol |
| Topological Polar Surface Area (TPSA) | 58.60 Ų |
| XlogP | 7.20 |
| CHEMBL104718 |
| [(2S,3S,4Ar,5R,8aS)-5-(5-hydroxyoctyl)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-3-yl] (E)-oct-2-enoate |
| 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 | 98.63% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.87% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.44% | 97.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.09% | 99.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.99% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.39% | 94.45% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 92.36% | 94.08% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 91.86% | 95.71% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 91.83% | 96.95% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 91.79% | 100.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 90.47% | 96.47% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.49% | 91.19% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.41% | 93.56% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 89.24% | 89.63% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 88.97% | 97.79% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 88.92% | 83.82% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.90% | 90.17% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 88.70% | 92.50% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 88.14% | 91.81% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 88.00% | 97.29% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 87.18% | 95.50% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 86.49% | 94.33% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 85.41% | 90.24% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 84.84% | 96.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.70% | 100.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 83.87% | 89.34% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 82.06% | 83.00% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 81.82% | 95.56% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.74% | 95.89% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 80.79% | 92.88% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 80.78% | 95.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.66% | 89.50% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 10454883 |
| LOTUS | LTS0194246 |
| wikiData | Q105224282 |