Certonardosterol C2
| Internal ID | 26adb973-1fdf-4dea-b73f-af25d5c3b261 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Ergostane steroids > Ergosterols and derivatives |
| IUPAC Name | (3S,5S,6S,8S,9R,10S,13R,14S,15R,17R)-17-[(E,2R,5R,6S)-7-hydroxy-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,6,8,15-tetrol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H48O5/c1-16(18(3)15-29)6-7-17(2)20-13-22(31)25-27(20,5)11-9-24-26(4)10-8-19(30)12-21(26)23(32)14-28(24,25)33/h6-7,16-25,29-33H,8-15H2,1-5H3/b7-6+/t16-,17-,18-,19+,20-,21-,22-,23+,24-,25-,26+,27-,28+/m1/s1 |
| InChI Key | CAJSDLMSCZXCNV-WIGUABAWSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C28H48O5 |
| Molecular Weight | 464.70 g/mol |
| Exact Mass | 464.35017463 g/mol |
| Topological Polar Surface Area (TPSA) | 101.00 Ų |
| XlogP | 3.70 |
| CHEMBL465356 |
| 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 | 98.57% | 97.25% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 98.55% | 95.93% |
| CHEMBL204 | P00734 | Thrombin | 97.47% | 96.01% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.60% | 96.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 94.33% | 82.69% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.59% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.26% | 97.09% |
| CHEMBL236 | P41143 | Delta opioid receptor | 91.91% | 99.35% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 90.41% | 95.58% |
| CHEMBL233 | P35372 | Mu opioid receptor | 89.90% | 97.93% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 88.65% | 96.61% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 88.61% | 92.86% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 87.56% | 98.10% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.39% | 100.00% |
| CHEMBL268 | P43235 | Cathepsin K | 86.70% | 96.85% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.58% | 94.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.42% | 98.95% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.14% | 95.89% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 85.13% | 96.03% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.38% | 94.45% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.30% | 97.14% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.13% | 100.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 83.60% | 97.79% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.50% | 95.89% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 83.13% | 98.03% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.05% | 90.17% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.71% | 96.47% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 82.53% | 83.10% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 81.54% | 98.75% |
| CHEMBL5600 | P27448 | Serine/threonine-protein kinase c-TAK1 | 81.25% | 88.81% |
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.
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| There are no matching plants. |
| PubChem | 11408669 |
| LOTUS | LTS0073956 |
| wikiData | Q104951436 |