(22E,24R)-6beta-methoxyergosta-7,22-dien-3beta,5alpha,9alpha,14beta-tetraol
| Internal ID | f32faf88-e5c9-432b-b502-479910ee4632 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Ergostane steroids > Ergosterols and derivatives |
| IUPAC Name | (3S,5R,6R,9S,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-6-methoxy-10,13-dimethyl-1,2,3,4,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthrene-3,5,9,14-tetrol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C29H48O5/c1-18(2)19(3)8-9-20(4)22-11-13-27(31)23-16-24(34-7)29(33)17-21(30)10-12-26(29,6)28(23,32)15-14-25(22,27)5/h8-9,16,18-22,24,30-33H,10-15,17H2,1-7H3/b9-8+/t19-,20+,21-,22+,24+,25+,26+,27-,28+,29-/m0/s1 |
| InChI Key | HBJRLXFOSVMXHX-LZBAXIKFSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C29H48O5 |
| Molecular Weight | 476.70 g/mol |
| Exact Mass | 476.35017463 g/mol |
| Topological Polar Surface Area (TPSA) | 90.20 Ų |
| XlogP | 3.20 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.18% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.32% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.08% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.94% | 95.89% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 90.95% | 82.69% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 90.36% | 97.14% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 90.03% | 91.07% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.24% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.42% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.70% | 85.14% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.55% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.02% | 98.95% |
| CHEMBL2959 | Q08881 | Tyrosine-protein kinase ITK/TSK | 84.27% | 95.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.48% | 97.25% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 83.31% | 96.61% |
| CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 82.78% | 94.97% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.36% | 91.03% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 82.34% | 94.23% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.27% | 93.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.81% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.41% | 86.33% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 146682449 |
| LOTUS | LTS0134862 |
| wikiData | Q105025322 |