(22E,24R)-6beta-methoxyergosta-7,9 (11),22-trien-3beta,5alpha,14beta-triol
| Internal ID | 290c929e-6183-480b-a35a-60bfc7c8d773 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Ergostane steroids > Ergosterols and derivatives |
| IUPAC Name | (3S,5R,6R,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-6-methoxy-10,13-dimethyl-2,3,4,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,5,14-triol |
| SMILES (Canonical) | CC(C)C(C)C=CC(C)C1CCC2(C1(CC=C3C2=CC(C4(C3(CCC(C4)O)C)O)OC)C)O |
| SMILES (Isomeric) | C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@]2([C@@]1(CC=C3C2=C[C@H]([C@@]4([C@@]3(CC[C@@H](C4)O)C)O)OC)C)O |
| InChI | InChI=1S/C29H46O4/c1-18(2)19(3)8-9-20(4)22-12-15-28(31)24-16-25(33-7)29(32)17-21(30)10-13-27(29,6)23(24)11-14-26(22,28)5/h8-9,11,16,18-22,25,30-32H,10,12-15,17H2,1-7H3/b9-8+/t19-,20+,21-,22+,25+,26+,27+,28-,29-/m0/s1 |
| InChI Key | ZNQTVDWBXOHGDP-BMPWRIHXSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C29H46O4 |
| Molecular Weight | 458.70 g/mol |
| Exact Mass | 458.33960994 g/mol |
| Topological Polar Surface Area (TPSA) | 69.90 Ų |
| XlogP | 4.10 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.25% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.40% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.18% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.98% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.48% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.40% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.36% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 89.27% | 97.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.90% | 95.56% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.82% | 91.07% |
| CHEMBL2959 | Q08881 | Tyrosine-protein kinase ITK/TSK | 83.56% | 95.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.58% | 82.69% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.44% | 93.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.24% | 90.17% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.18% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.49% | 86.33% |
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.
| There are no matching plants. |
| PubChem | 146682452 |
| LOTUS | LTS0197746 |
| wikiData | Q105380179 |