Certonardosterol I
| Internal ID | 01cf34c0-c00b-4049-91c6-b5ce7a0d7f7a |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Gorgostanes and derivatives |
| IUPAC Name | (3S,5S,6S,8S,9R,10S,13R,14S,15R,17R)-17-[(E,2R,5R,6R)-7-hydroxy-4,5,6-trimethylhept-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/C29H50O5/c1-16(19(4)18(3)15-30)11-17(2)21-13-23(32)26-28(21,6)10-8-25-27(5)9-7-20(31)12-22(27)24(33)14-29(25,26)34/h11,17-26,30-34H,7-10,12-15H2,1-6H3/b16-11+/t17-,18+,19+,20+,21-,22-,23-,24+,25-,26-,27+,28-,29+/m1/s1 |
| InChI Key | KPNZIJDIWSLXBI-ZESZIVLYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C29H50O5 |
| Molecular Weight | 478.70 g/mol |
| Exact Mass | 478.36582469 g/mol |
| Topological Polar Surface Area (TPSA) | 101.00 Ų |
| XlogP | 4.30 |
| CHEMBL473875 |
| 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 | 98.82% | 97.25% |
| CHEMBL204 | P00734 | Thrombin | 98.53% | 96.01% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 98.11% | 95.93% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.54% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.31% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.95% | 97.09% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 92.74% | 95.89% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 92.35% | 82.69% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 91.11% | 97.64% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 91.03% | 92.86% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 90.60% | 94.75% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 90.34% | 95.58% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.03% | 100.00% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 89.53% | 98.10% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 89.34% | 98.35% |
| CHEMBL236 | P41143 | Delta opioid receptor | 88.27% | 99.35% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 87.60% | 97.79% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.21% | 94.45% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 86.96% | 83.10% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.67% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.43% | 98.95% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 85.13% | 97.29% |
| CHEMBL268 | P43235 | Cathepsin K | 85.02% | 96.85% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 84.95% | 85.31% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 84.93% | 91.03% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.59% | 97.14% |
| CHEMBL233 | P35372 | Mu opioid receptor | 84.51% | 97.93% |
| CHEMBL344 | Q99705 | Melanin-concentrating hormone receptor 1 | 84.40% | 92.50% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 83.57% | 89.50% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 83.17% | 88.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.05% | 100.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.87% | 93.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.35% | 100.00% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 81.04% | 95.36% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 80.86% | 100.00% |
| CHEMBL1871 | P10275 | Androgen Receptor | 80.04% | 96.43% |
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 | 21629552 |
| LOTUS | LTS0068490 |
| wikiData | Q105144302 |