3beta,5alpha,6beta,8beta,14alpha-pentahydroxy-(22E,24R)-ergost-22-en-7-one
| Internal ID | 78d1d2ac-5ce9-4ce0-b7f9-2b4255a99183 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Ergostane steroids > Ergosterols and derivatives |
| IUPAC Name | (3S,5R,6S,8S,10R,13R,14S,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-3,5,6,8,14-pentahydroxy-10,13-dimethyl-2,3,4,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-7-one |
| SMILES (Canonical) | CC(C)C(C)C=CC(C)C1CCC2(C1(CCC3C2(C(=O)C(C4(C3(CCC(C4)O)C)O)O)O)C)O |
| SMILES (Isomeric) | C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@]2([C@@]1(CCC3[C@]2(C(=O)[C@H]([C@@]4([C@@]3(CC[C@@H](C4)O)C)O)O)O)C)O |
| InChI | InChI=1S/C28H46O6/c1-16(2)17(3)7-8-18(4)20-10-14-27(33)24(20,5)13-11-21-25(6)12-9-19(29)15-26(25,32)22(30)23(31)28(21,27)34/h7-8,16-22,29-30,32-34H,9-15H2,1-6H3/b8-7+/t17-,18+,19-,20+,21?,22+,24+,25+,26-,27-,28+/m0/s1 |
| InChI Key | XVBWIRYDRDXAIY-SKHDNZKESA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C28H46O6 |
| Molecular Weight | 478.70 g/mol |
| Exact Mass | 478.32943918 g/mol |
| Topological Polar Surface Area (TPSA) | 118.00 Ų |
| XlogP | 3.00 |
| 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 | 96.66% | 97.25% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 96.58% | 82.69% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.15% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.91% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.06% | 96.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 92.31% | 94.75% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.37% | 91.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.67% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.38% | 97.14% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.66% | 91.07% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.95% | 97.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.45% | 93.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.30% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.72% | 85.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.19% | 100.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.74% | 100.00% |
| CHEMBL2959 | Q08881 | Tyrosine-protein kinase ITK/TSK | 80.37% | 95.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.33% | 91.03% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.32% | 93.00% |
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.
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| There are no matching plants. |
| PubChem | 139588252 |
| LOTUS | LTS0093192 |
| wikiData | Q105342774 |