Butyl lucidenate Q
| Internal ID | dae9f416-3ed0-438a-91b6-885321890e11 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | butyl (4R)-4-[(7S,10S,13R,14R,15S,17R)-7,15-dihydroxy-4,4,10,13,14-pentamethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate |
| SMILES (Canonical) | CCCCOC(=O)CCC(C)C1CC(C2(C1(CC(=O)C3=C2C(CC4C3(CCC(=O)C4(C)C)C)O)C)C)O |
| SMILES (Isomeric) | CCCCOC(=O)CC[C@@H](C)[C@H]1C[C@@H]([C@@]2([C@@]1(CC(=O)C3=C2[C@H](CC4[C@@]3(CCC(=O)C4(C)C)C)O)C)C)O |
| InChI | InChI=1S/C31H48O6/c1-8-9-14-37-25(36)11-10-18(2)19-15-24(35)31(7)27-20(32)16-22-28(3,4)23(34)12-13-29(22,5)26(27)21(33)17-30(19,31)6/h18-20,22,24,32,35H,8-17H2,1-7H3/t18-,19-,20+,22?,24+,29+,30-,31+/m1/s1 |
| InChI Key | BNIRNFGPJVLFAH-IRSMUZKKSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C31H48O6 |
| Molecular Weight | 516.70 g/mol |
| Exact Mass | 516.34508925 g/mol |
| Topological Polar Surface Area (TPSA) | 101.00 Ų |
| XlogP | 4.00 |
| 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 |
|---|---|---|---|---|
| CHEMBL299 | P17252 | Protein kinase C alpha | 98.43% | 98.03% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 98.16% | 97.79% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.94% | 96.09% |
| CHEMBL240 | Q12809 | HERG | 96.38% | 89.76% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 96.18% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.16% | 98.95% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 94.28% | 96.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.97% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.88% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.77% | 97.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.76% | 99.17% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 91.33% | 82.69% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 91.20% | 90.71% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.51% | 91.19% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.20% | 91.11% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.20% | 93.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 89.29% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.48% | 99.23% |
| CHEMBL202 | P00374 | Dihydrofolate reductase | 87.95% | 89.92% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 87.78% | 93.31% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 85.69% | 89.63% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 84.78% | 97.50% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 83.03% | 91.71% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 82.86% | 91.24% |
| CHEMBL2850 | P49840 | Glycogen synthase kinase-3 alpha | 82.59% | 88.84% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 82.18% | 97.29% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.24% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.12% | 86.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.20% | 100.00% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 80.14% | 82.50% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.12% | 100.00% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 80.11% | 98.33% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 71582788 |
| LOTUS | LTS0211553 |
| wikiData | Q77510579 |