Glisoprenin B
| Internal ID | 934f41a0-054f-4f7a-bd2c-7d42717a1b2f |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Polyprenols |
| IUPAC Name | (2E,6E,10E,14E)-30-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3,7,11,15,19,23,27-heptamethyltriaconta-2,6,10,14-tetraene-1,19,23,27-tetrol |
| SMILES (Canonical) | CC(=CCCC(=CCCC(=CCCC(=CCO)C)C)C)CCCC(C)(CCCC(C)(CCCC(C)(CCCC1(CCC(O1)C(C)(C)O)C)O)O)O |
| SMILES (Isomeric) | C/C(=C\CC/C(=C/CC/C(=C/CC/C(=C/CO)/C)/C)/C)/CCCC(C)(CCCC(C)(CCCC(C)(CCCC1(CCC(O1)C(C)(C)O)C)O)O)O |
| InChI | InChI=1S/C45H82O6/c1-36(18-11-19-37(2)21-13-23-39(4)26-35-46)20-12-22-38(3)24-14-27-42(7,48)28-15-29-43(8,49)30-16-31-44(9,50)32-17-33-45(10)34-25-40(51-45)41(5,6)47/h18,21-22,26,40,46-50H,11-17,19-20,23-25,27-35H2,1-10H3/b36-18+,37-21+,38-22+,39-26+ |
| InChI Key | JVMGRPXMVYGAQN-QYOQUFJESA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C45H82O6 |
| Molecular Weight | 719.10 g/mol |
| Exact Mass | 718.61114033 g/mol |
| Topological Polar Surface Area (TPSA) | 110.00 Ų |
| XlogP | 9.70 |
| 144376-63-6 |
| (2E,6E,10E,14E)-30-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3,7,11,15,19,23,27-heptamethyltriaconta-2,6,10,14-tetraene-1,19,23,27-tetrol |
| 2,6,10,14-Tricosatetraene-1,19,23,27-tetrol, 3,7,11,15,19,23,27-heptamethyl-30-(tetrahydro-5-(1-hydroxy-1-methylethyl)-2-methyl-2-furanyl)- |
| 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 | 96.86% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.72% | 97.25% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.90% | 83.82% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 91.61% | 92.88% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.27% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.18% | 97.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.20% | 94.75% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 89.20% | 95.50% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.30% | 93.56% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 85.57% | 100.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.91% | 100.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 84.85% | 96.77% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.71% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.45% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.35% | 89.00% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 82.25% | 89.05% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 82.13% | 95.38% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 81.86% | 96.61% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.67% | 96.90% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.19% | 94.73% |
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 | 6438769 |
| LOTUS | LTS0109529 |
| wikiData | Q77381787 |