[3-[(1E,3E,9E)-8-(2-aminoethyl)-10-(3-ethyl-6-oxo-2,3-dihydropyran-2-yl)-5,8-dihydroxy-7-phosphonooxydeca-1,3,9-trienyl]cyclohexyl] cyclohexanecarboxylate
| Internal ID | bdd7f744-0a2c-4f81-8ccc-67363cc3ac51 |
| Taxonomy | Organoheterocyclic compounds > Pyrans > Pyranones and derivatives > Dihydropyranones |
| IUPAC Name | [3-[(1E,3E,9E)-8-(2-aminoethyl)-10-(3-ethyl-6-oxo-2,3-dihydropyran-2-yl)-5,8-dihydroxy-7-phosphonooxydeca-1,3,9-trienyl]cyclohexyl] cyclohexanecarboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C32H50NO10P/c1-2-24-15-16-30(35)42-28(24)17-18-32(37,19-20-33)29(43-44(38,39)40)22-26(34)13-7-6-9-23-10-8-14-27(21-23)41-31(36)25-11-4-3-5-12-25/h6-7,9,13,15-18,23-29,34,37H,2-5,8,10-12,14,19-22,33H2,1H3,(H2,38,39,40)/b9-6+,13-7+,18-17+ |
| InChI Key | VPPYLHODJVARBC-XUQJEITOSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C32H50NO10P |
| Molecular Weight | 639.70 g/mol |
| Exact Mass | 639.31723379 g/mol |
| Topological Polar Surface Area (TPSA) | 186.00 Ų |
| XlogP | 0.60 |
| 122856-29-5 |
| [3-[(1E,3E,9E)-8-(2-aminoethyl)-10-(3-ethyl-6-oxo-2,3-dihydropyran-2-yl)-5,8-dihydroxy-7-phosphonooxydeca-1,3,9-trienyl]cyclohexyl] cyclohexanecarboxylate |
| Cyclohexanecarboxylic acid, 3-(8-(2-aminoethyl)-10-(3-ethyl-3,6-dihydro-6-oxo-2H-pyran-2-yl)-5,8-dihydroxy-7-(phophonooxy)-1,3,9-decatrienyl)cyclohexyl ester |
![2D Structure of [3-[(1E,3E,9E)-8-(2-aminoethyl)-10-(3-ethyl-6-oxo-2,3-dihydropyran-2-yl)-5,8-dihydroxy-7-phosphonooxydeca-1,3,9-trienyl]cyclohexyl] cyclohexanecarboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/phoslactomycin-e.jpg "2D Structure of [3-[(1E,3E,9E)-8-(2-aminoethyl)-10-(3-ethyl-6-oxo-2,3-dihydropyran-2-yl)-5,8-dihydroxy-7-phosphonooxydeca-1,3,9-trienyl]cyclohexyl] cyclohexanecarboxylate")
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 99.09% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.11% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 97.11% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.75% | 96.09% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 93.71% | 96.47% |
| CHEMBL3230 | O95977 | Sphingosine 1-phosphate receptor Edg-6 | 93.65% | 94.01% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 92.14% | 96.38% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 91.34% | 89.50% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 91.03% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.95% | 95.56% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 90.14% | 95.17% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 89.42% | 95.58% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.19% | 98.95% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.59% | 93.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.83% | 91.19% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 87.50% | 100.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 87.23% | 92.50% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 86.63% | 92.88% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 85.26% | 87.67% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.92% | 99.17% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 84.41% | 89.34% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.41% | 94.73% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.87% | 92.62% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 83.68% | 95.71% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 83.46% | 96.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.31% | 93.03% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 83.01% | 98.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.45% | 95.89% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 81.70% | 97.29% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 81.35% | 98.75% |
| CHEMBL5957 | P21589 | 5'-nucleotidase | 81.00% | 97.78% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.53% | 94.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.41% | 96.00% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 80.41% | 80.33% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 80.32% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.29% | 94.45% |
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.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 6441201 |
| LOTUS | LTS0127298 |
| wikiData | Q105290922 |