3beta-Hydroxy-(22e,24r)-ergosta-5,8,22-trien-7-one
| Internal ID | 1a302898-832c-4350-bb2e-1714197a6376 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Ergostane steroids > Ergosterols and derivatives |
| IUPAC Name | (3S,10S,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-one |
| SMILES (Canonical) | CC(C)C(C)C=CC(C)C1CCC2C1(CCC3=C2C(=O)C=C4C3(CCC(C4)O)C)C |
| SMILES (Isomeric) | C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CCC3=C2C(=O)C=C4[C@@]3(CC[C@@H](C4)O)C)C |
| InChI | InChI=1S/C28H42O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-26-24(12-14-28(22,23)6)27(5)13-11-21(29)15-20(27)16-25(26)30/h7-8,16-19,21-23,29H,9-15H2,1-6H3/b8-7+/t18-,19+,21-,22+,23-,27-,28+/m0/s1 |
| InChI Key | UOHNARRKDSHFLD-ZYOSRWINSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C28H42O2 |
| Molecular Weight | 410.60 g/mol |
| Exact Mass | 410.318480578 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 6.30 |
| CHEMBL5183110 |
| DTXSID501240911 |
| 200942-18-3 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.05% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.42% | 91.11% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 94.03% | 95.93% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.73% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.46% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.80% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.59% | 95.89% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.39% | 82.69% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.94% | 97.09% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 87.57% | 93.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.67% | 97.25% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.64% | 90.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.64% | 99.23% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.44% | 93.56% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.33% | 96.47% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.69% | 100.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.02% | 90.17% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 82.58% | 97.05% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.70% | 93.03% |
| CHEMBL2959 | Q08881 | Tyrosine-protein kinase ITK/TSK | 80.80% | 95.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.78% | 91.07% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 80.66% | 97.33% |
| CHEMBL4444 | P04070 | Vitamin K-dependent protein C | 80.09% | 93.89% |
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.
| Momordica charantia |
| PubChem | 15340726 |
| LOTUS | LTS0047257 |
| wikiData | Q105276373 |