Certonardosterol P1
| Internal ID | d8d42254-4013-45a3-95a9-5e0be30fa0c4 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Stigmastanes and derivatives |
| IUPAC Name | (3S,4R,5S,6S,8S,9R,10S,13R,14S,15S,16R,17R)-17-[(2R,5R)-5-(2-hydroxyethyl)-6-methylheptan-2-yl]-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,4,6,8,15,16-hexol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C29H52O7/c1-15(2)17(10-13-30)7-6-16(3)21-24(34)25(35)26-28(21,5)12-9-20-27(4)11-8-18(31)23(33)22(27)19(32)14-29(20,26)36/h15-26,30-36H,6-14H2,1-5H3/t16-,17-,18+,19+,20-,21+,22+,23+,24-,25-,26-,27-,28-,29+/m1/s1 |
| InChI Key | LVWCIHZIRLWTAH-CDVCAKAQSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C29H52O7 |
| Molecular Weight | 512.70 g/mol |
| Exact Mass | 512.37130399 g/mol |
| Topological Polar Surface Area (TPSA) | 142.00 Ų |
| XlogP | 2.90 |
| CHEMBL464937 |
| 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 |
|---|---|---|---|---|
| CHEMBL220 | P22303 | Acetylcholinesterase | 97.33% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.19% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.89% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.25% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.41% | 94.45% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 93.32% | 95.93% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.48% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.28% | 91.11% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 89.21% | 95.58% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 89.14% | 97.79% |
| CHEMBL4482 | O96013 | Serine/threonine-protein kinase PAK 4 | 89.14% | 95.42% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 88.64% | 83.82% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.23% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.57% | 95.89% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 87.47% | 96.61% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.56% | 82.69% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.25% | 94.75% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.88% | 90.17% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.84% | 95.89% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 83.25% | 91.24% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 82.93% | 92.88% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 82.27% | 98.10% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.15% | 96.47% |
| CHEMBL268 | P43235 | Cathepsin K | 81.66% | 96.85% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 80.99% | 92.86% |
| CHEMBL2959 | Q08881 | Tyrosine-protein kinase ITK/TSK | 80.73% | 95.00% |
| CHEMBL344 | Q99705 | Melanin-concentrating hormone receptor 1 | 80.42% | 92.50% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 80.24% | 95.36% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.10% | 100.00% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 80.05% | 100.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 11409669 |
| LOTUS | LTS0090256 |
| wikiData | Q105158096 |