butyl lucidenate N
| Internal ID | b1fe8c22-ec03-4661-98af-23badfddf1ed |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | butyl (4R)-4-[(3S,5R,7S,10S,13R,14R,17R)-3,7-dihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate |
| SMILES (Canonical) | CCCCOC(=O)CCC(C)C1CC(=O)C2(C1(CC(=O)C3=C2C(CC4C3(CCC(C4(C)C)O)C)O)C)C |
| SMILES (Isomeric) | CCCCOC(=O)CC[C@@H](C)[C@H]1CC(=O)[C@@]2([C@@]1(CC(=O)C3=C2[C@H](C[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O)C)C |
| 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/h18-20,22-23,32,34H,8-17H2,1-7H3/t18-,19-,20+,22+,23+,29+,30-,31+/m1/s1 |
| InChI Key | JSTZMWXBGOXHSZ-CGHXCNIISA-N |
| Popularity | 3 references 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 |
| Butyl Lucidentate N |
| CHEMBL1083811 |
| 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 |
|---|---|---|---|---|
| CHEMBL2996 | Q05655 | Protein kinase C delta | 98.21% | 97.79% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 97.58% | 90.17% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 97.10% | 98.03% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.96% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.96% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.02% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.31% | 91.11% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 95.01% | 82.69% |
| CHEMBL240 | Q12809 | HERG | 94.44% | 89.76% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.79% | 97.25% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 93.07% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.08% | 99.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.01% | 93.56% |
| CHEMBL2850 | P49840 | Glycogen synthase kinase-3 alpha | 90.66% | 88.84% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.21% | 91.19% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.78% | 90.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.72% | 99.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.61% | 94.45% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 89.61% | 100.00% |
| CHEMBL238 | Q01959 | Dopamine transporter | 89.56% | 95.88% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 85.93% | 97.50% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.21% | 92.62% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 84.76% | 93.31% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 84.29% | 97.29% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.52% | 93.03% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 82.45% | 85.30% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 82.28% | 92.98% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.14% | 100.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.99% | 95.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.98% | 100.00% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 80.23% | 98.33% |
| CHEMBL236 | P41143 | Delta opioid receptor | 80.16% | 99.35% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 80.07% | 89.05% |
| CHEMBL2959 | Q08881 | Tyrosine-protein kinase ITK/TSK | 80.07% | 95.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 46184563 |
| LOTUS | LTS0079747 |
| wikiData | Q77375114 |