(22e,24r)-5alpha,6alpha-Epoxyergosta-8,22-diene-3beta,7beta-diol
| Internal ID | 586cbb60-d1cd-4ae6-b733-1a45b26c5f96 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Ergostane steroids |
| IUPAC Name | (2R,5S,7R,9S,10R,12R,15R,16R)-15-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-1(11)-ene-5,10-diol |
| SMILES (Canonical) | CC(C)C(C)C=CC(C)C1CCC2C1(CCC3=C2C(C4C5(C3(CCC(C5)O)C)O4)O)C |
| SMILES (Isomeric) | C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CCC3=C2[C@H]([C@H]4[C@@]5([C@@]3(CC[C@@H](C5)O)C)O4)O)C |
| InChI | InChI=1S/C28H44O3/c1-16(2)17(3)7-8-18(4)20-9-10-21-23-22(12-13-26(20,21)5)27(6)14-11-19(29)15-28(27)25(31-28)24(23)30/h7-8,16-21,24-25,29-30H,9-15H2,1-6H3/b8-7+/t17-,18+,19-,20+,21-,24+,25-,26+,27+,28-/m0/s1 |
| InChI Key | PCIZFQVDNDHRPP-VROIPSKSSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C28H44O3 |
| Molecular Weight | 428.60 g/mol |
| Exact Mass | 428.32904526 g/mol |
| Topological Polar Surface Area (TPSA) | 53.00 Ų |
| XlogP | 5.10 |
| 243449-53-8 |
| (22e,24r)-5alpha,6alpha-epoxyergosta-8,22-diene-3beta,7beta-diol |
| (3beta,5alpha,6alpha,7beta,22E)-5,6-Epoxyergosta-8,22-diene-3,7-diol |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.36% | 91.11% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 95.45% | 95.93% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.95% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.39% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.10% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.30% | 95.89% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 90.61% | 96.21% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 88.61% | 96.38% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 88.31% | 97.14% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 88.08% | 91.07% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.78% | 93.56% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.14% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.58% | 98.95% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 84.76% | 98.03% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.66% | 82.69% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.10% | 95.89% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.34% | 97.25% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.24% | 92.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.10% | 89.00% |
| CHEMBL4444 | P04070 | Vitamin K-dependent protein C | 80.08% | 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 | 10741209 |
| LOTUS | LTS0144928 |
| wikiData | Q105205770 |