(24S)-3-epicyclomusalenol
| Internal ID | c50bd37a-84c8-4149-94ac-2b550a3ba07a |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cycloartanols and derivatives |
| IUPAC Name | (1S,3R,6R,7S,8S,11S,12S,15R,16R)-15-[(2R,5S)-5,6-dimethylhept-6-en-2-yl]-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol |
| SMILES (Canonical) | CC1C2CCC3C4(CCC(C4(CCC35C2(C5)CCC1O)C)C(C)CCC(C)C(=C)C)C |
| SMILES (Isomeric) | C[C@H]1[C@@H]2CC[C@H]3[C@@]4(CC[C@@H]([C@]4(CC[C@@]35[C@@]2(C5)CC[C@H]1O)C)[C@H](C)CC[C@H](C)C(=C)C)C |
| InChI | InChI=1S/C30H50O/c1-19(2)20(3)8-9-21(4)23-12-14-28(7)26-11-10-24-22(5)25(31)13-15-29(24)18-30(26,29)17-16-27(23,28)6/h20-26,31H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24-,25+,26-,27+,28-,29+,30-/m0/s1 |
| InChI Key | QCGMIFBWAQSUQY-SMDMFZACSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C30H50O |
| Molecular Weight | 426.70 g/mol |
| Exact Mass | 426.386166214 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 10.00 |
| CHEMBL224809 |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.28% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.66% | 91.11% |
| CHEMBL233 | P35372 | Mu opioid receptor | 93.97% | 97.93% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.53% | 96.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 90.66% | 96.61% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 90.58% | 94.75% |
| CHEMBL3837 | P07711 | Cathepsin L | 90.28% | 96.61% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 90.01% | 97.79% |
| CHEMBL240 | Q12809 | HERG | 89.06% | 89.76% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.34% | 98.95% |
| CHEMBL2095194 | P08709 | Coagulation factor VII/tissue factor | 87.29% | 99.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.94% | 97.09% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 86.11% | 90.24% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.07% | 100.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.65% | 90.17% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.38% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.35% | 82.69% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 84.19% | 98.10% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 84.09% | 95.92% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.15% | 93.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 82.65% | 91.49% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 82.02% | 83.82% |
| CHEMBL236 | P41143 | Delta opioid receptor | 81.76% | 99.35% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 81.62% | 90.08% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.09% | 94.45% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.58% | 96.95% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 80.14% | 99.18% |
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.
| Musa × paradisiaca |
| PubChem | 44423592 |
| LOTUS | LTS0080621 |
| wikiData | Q105218220 |