[(2R)-2-hexadecanoyloxy-3-[hydroxy-[3,4,5-trihydroxy-2,6-bis[[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]cyclohexyl]oxyphosphoryl]oxypropyl] 10-methyloctadecanoate
| Internal ID | 12e277df-d1d0-45eb-b543-59e9936f59be |
| Taxonomy | Lipids and lipid-like molecules > Glycerophospholipids > Glycerophosphoinositols > Phosphatidylinositols > Phosphatidylinositol dimannosides |
| IUPAC Name | [(2R)-2-hexadecanoyloxy-3-[hydroxy-[3,4,5-trihydroxy-2,6-bis[[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]cyclohexyl]oxyphosphoryl]oxypropyl] 10-methyloctadecanoate |
| SMILES (Canonical) | CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC(C)CCCCCCCC)COP(=O)(O)OC1C(C(C(C(C1OC2C(C(C(C(O2)CO)O)O)O)O)O)O)OC3C(C(C(C(O3)CO)O)O)O |
| SMILES (Isomeric) | CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC(C)CCCCCCCC)COP(=O)(O)OC1C(C(C(C(C1OC2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)OC3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O |
| InChI | InChI=1S/C56H105O23P/c1-4-6-8-10-12-13-14-15-16-17-18-24-28-32-42(60)74-38(35-72-41(59)31-27-23-20-19-22-26-30-37(3)29-25-21-11-9-7-5-2)36-73-80(70,71)79-54-52(77-55-50(68)45(63)43(61)39(33-57)75-55)48(66)47(65)49(67)53(54)78-56-51(69)46(64)44(62)40(34-58)76-56/h37-40,43-58,61-69H,4-36H2,1-3H3,(H,70,71)/t37?,38-,39-,40-,43-,44-,45+,46+,47?,48?,49?,50+,51+,52?,53?,54?,55?,56?/m1/s1 |
| InChI Key | MTGKBFLKPPLWKN-XIFBANQRSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C56H105O23P |
| Molecular Weight | 1177.40 g/mol |
| Exact Mass | 1176.67842659 g/mol |
| Topological Polar Surface Area (TPSA) | 368.00 Ų |
| XlogP | 8.40 |
| There are no found synonyms. |
![2D Structure of [(2R)-2-hexadecanoyloxy-3-[hydroxy-[3,4,5-trihydroxy-2,6-bis[[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]cyclohexyl]oxyphosphoryl]oxypropyl] 10-methyloctadecanoate](https://plantaedb.com/storage/docs/compounds/2023/11/4c942c90-8537-11ee-a572-ed7af7109284.jpg "2D Structure of [(2R)-2-hexadecanoyloxy-3-[hydroxy-[3,4,5-trihydroxy-2,6-bis[[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]cyclohexyl]oxyphosphoryl]oxypropyl] 10-methyloctadecanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 99.15% | 97.29% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 98.13% | 85.94% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 98.01% | 92.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.83% | 99.17% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 97.54% | 95.17% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 96.49% | 92.86% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.48% | 96.09% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 95.78% | 98.03% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.18% | 98.95% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 92.76% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 92.64% | 93.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.61% | 94.73% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.23% | 91.11% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 90.09% | 87.45% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 87.47% | 94.33% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 86.79% | 91.24% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.63% | 96.47% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.23% | 96.00% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 85.71% | 82.50% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.46% | 97.25% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 85.41% | 83.00% |
| CHEMBL4333 | P21453 | Sphingosine 1-phosphate receptor Edg-1 | 85.14% | 96.99% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.03% | 100.00% |
| CHEMBL1993 | P26358 | DNA (cytosine-5)-methyltransferase 1 | 85.00% | 95.44% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 84.62% | 96.21% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 84.50% | 80.33% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 83.51% | 96.61% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.16% | 90.71% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 82.66% | 89.34% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.90% | 96.90% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 81.41% | 94.45% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 80.51% | 97.79% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 80.31% | 95.00% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 80.28% | 93.31% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 80.12% | 92.08% |
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 | 162821182 |
| LOTUS | LTS0162526 |
| wikiData | Q105171678 |