Leptolyngbyalide A
| Internal ID | 32116f9e-04f3-4778-83ba-ea093dde2902 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters |
| IUPAC Name | [(1E,15E)-1-bromo-7,9,11,13,17-pentahydroxy-17-(9-hydroxy-5,7,11,15-tetramethyl-3-oxo-2,14-dioxabicyclo[11.2.1]hexadec-4-en-15-yl)-2-methoxy-8,12,12,15-tetramethyl-3-methylideneheptadeca-1,15-dien-5-yl] hexadecanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C57H99BrO12/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-25-54(65)68-45(33-42(6)49(37-58)67-11)34-47(60)43(7)48(61)36-51(63)56(8,9)50(62)30-41(5)31-52(64)57(10)53-35-46(70-57)29-40(4)28-44(59)27-38(2)26-39(3)32-55(66)69-53/h31-32,37-38,40,43-48,50-53,59-64H,6,12-30,33-36H2,1-5,7-11H3/b39-32?,41-31+,49-37+ |
| InChI Key | MWWOEWNPMXIBPQ-FOGJETPCSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C57H99BrO12 |
| Molecular Weight | 1056.30 g/mol |
| Exact Mass | 1054.63199 g/mol |
| Topological Polar Surface Area (TPSA) | 192.00 Ų |
| XlogP | 13.50 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.67% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 99.17% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.65% | 85.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.80% | 97.25% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.55% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.97% | 96.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 96.17% | 97.79% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.11% | 89.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 94.06% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 93.95% | 93.56% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 93.79% | 100.00% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 93.47% | 98.75% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 93.20% | 92.86% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.87% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.20% | 86.33% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 91.21% | 85.94% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 91.17% | 89.63% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 90.94% | 96.90% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.77% | 90.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.66% | 94.73% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.21% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.19% | 97.09% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 88.53% | 97.21% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 88.21% | 97.14% |
| CHEMBL1871 | P10275 | Androgen Receptor | 88.16% | 96.43% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 88.14% | 92.88% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 88.04% | 91.24% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.71% | 94.45% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.69% | 91.19% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 87.50% | 96.47% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 86.88% | 92.50% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 86.65% | 91.03% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 85.70% | 90.08% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.05% | 96.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.10% | 95.56% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 83.63% | 97.47% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.29% | 94.33% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.86% | 91.07% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 82.83% | 96.00% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 82.20% | 98.03% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.70% | 93.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.23% | 95.50% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 80.08% | 96.25% |
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 | 146683568 |
| LOTUS | LTS0054639 |
| wikiData | Q105173830 |