24,24-Dimethyl-5alpha-cholesta-7,25-dien-22-yn-3beta-ol
| Internal ID | e96f1469-a9b1-408f-8637-9f3f4210a944 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cholestane steroids > Cholesterols and derivatives |
| IUPAC Name | (3S,5S,9R,10S,13R,14R,17R)-10,13-dimethyl-17-[(2S)-5,5,6-trimethylhept-6-en-3-yn-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| SMILES (Canonical) | CC(C#CC(C)(C)C(=C)C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)O)C)C |
| SMILES (Isomeric) | C[C@H](C#CC(C)(C)C(=C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C |
| InChI | InChI=1S/C29H44O/c1-19(2)27(4,5)15-12-20(3)24-10-11-25-23-9-8-21-18-22(30)13-16-28(21,6)26(23)14-17-29(24,25)7/h9,20-22,24-26,30H,1,8,10-11,13-14,16-18H2,2-7H3/t20-,21+,22+,24-,25+,26+,28+,29-/m1/s1 |
| InChI Key | DVYXTXNYAJSGGQ-OCFIBWRFSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C29H44O |
| Molecular Weight | 408.70 g/mol |
| Exact Mass | 408.339216023 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 8.20 |
| There are no found synonyms. |
| 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 | 99.14% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.10% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.39% | 94.45% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 94.29% | 82.69% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.20% | 96.09% |
| CHEMBL1871 | P10275 | Androgen Receptor | 90.27% | 96.43% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.04% | 95.89% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.89% | 94.75% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.87% | 93.56% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 87.47% | 91.03% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.29% | 100.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 86.98% | 100.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 86.70% | 96.38% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.58% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.25% | 97.09% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.52% | 100.00% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 83.04% | 99.43% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.57% | 90.17% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 82.06% | 97.21% |
| CHEMBL2007625 | O75874 | Isocitrate dehydrogenase [NADP] cytoplasmic | 81.46% | 99.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.45% | 97.14% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.22% | 95.89% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 80.04% | 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.
| Gynostemma pentaphyllum |
| PubChem | 129837301 |
| LOTUS | LTS0069946 |
| wikiData | Q104990435 |