24-Methylene pollinastanol
| Internal ID | 4bd545e9-690c-4897-99d7-99eec35c0986 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Ergostane steroids > Ergosterols and derivatives |
| IUPAC Name | (1S,3R,6S,8S,11S,12S,15R,16R)-12,16-dimethyl-15-(6-methyl-5-methylideneheptan-2-yl)pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol |
| SMILES (Canonical) | CC(C)C(=C)CCC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5)O)C)C |
| SMILES (Isomeric) | CC(C)C(=C)CCC(C)[C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2CC[C@@H]5[C@]3(C4)CC[C@@H](C5)O)C)C |
| InChI | InChI=1S/C29H48O/c1-19(2)20(3)7-8-21(4)24-12-13-27(6)25-10-9-22-17-23(30)11-14-28(22)18-29(25,28)16-15-26(24,27)5/h19,21-25,30H,3,7-18H2,1-2,4-6H3/t21?,22-,23-,24+,25-,26+,27-,28+,29-/m0/s1 |
| InChI Key | AIPIOTMFPXYEQS-CTBOXAHNSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H48O |
| Molecular Weight | 412.70 g/mol |
| Exact Mass | 412.370516150 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 9.50 |
| 24-Methylenepollinastanol |
| 9,19-Cycloergost-24(28)-en-3-ol, 14-methyl-, (3beta,5alpha)- |
| 34443-88-4 |
| 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 | 97.43% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.25% | 91.11% |
| CHEMBL240 | Q12809 | HERG | 95.36% | 89.76% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.31% | 96.09% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 94.49% | 90.24% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 94.12% | 95.17% |
| CHEMBL3837 | P07711 | Cathepsin L | 93.24% | 96.61% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.17% | 97.09% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 91.27% | 92.86% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 90.06% | 94.45% |
| CHEMBL233 | P35372 | Mu opioid receptor | 89.81% | 97.93% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.34% | 94.45% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 87.71% | 98.10% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.41% | 82.69% |
| CHEMBL238 | Q01959 | Dopamine transporter | 86.39% | 95.88% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 86.25% | 95.58% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 85.40% | 97.79% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 85.06% | 96.03% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.06% | 93.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.02% | 92.62% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 84.94% | 91.03% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 84.77% | 89.05% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 84.72% | 95.92% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 84.30% | 96.61% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.65% | 100.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.37% | 95.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.10% | 95.89% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.08% | 94.75% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 82.68% | 98.75% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.31% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.15% | 98.95% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.09% | 100.00% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 82.01% | 95.34% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 81.74% | 98.05% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.64% | 96.47% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.07% | 96.77% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 80.99% | 95.00% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 80.97% | 100.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.92% | 96.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.90% | 90.17% |
| CHEMBL3055 | P50613 | Cyclin-dependent kinase 7 | 80.16% | 81.88% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 80.02% | 85.31% |
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.
| Carthamus tinctorius |
| Costus tonkinensis |
| Zea mays |
| PubChem | 118987255 |
| LOTUS | LTS0232772 |
| wikiData | Q104375106 |