Stereinone E
| Internal ID | 614bd948-9124-4fa9-9023-a91861797618 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (5R,8R,10S,13R,14R,17R)-8-hydroxy-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-1,2,5,6,7,15,16,17-octahydrocyclopenta[a]phenanthrene-3,12-dione |
| SMILES (Canonical) | CC(CCC=C(C)C)C1CCC2(C1(C(=O)C=C3C2(CCC4C3(CCC(=O)C4(C)C)C)O)C)C |
| SMILES (Isomeric) | C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2([C@@]1(C(=O)C=C3[C@]2(CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)O)C)C |
| InChI | InChI=1S/C30H46O3/c1-19(2)10-9-11-20(3)21-12-16-28(7)29(21,8)25(32)18-23-27(6)15-14-24(31)26(4,5)22(27)13-17-30(23,28)33/h10,18,20-22,33H,9,11-17H2,1-8H3/t20-,21-,22+,27+,28-,29+,30+/m1/s1 |
| InChI Key | JIXHFAPZVZWJCW-KEELAESXSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C30H46O3 |
| Molecular Weight | 454.70 g/mol |
| Exact Mass | 454.34469533 g/mol |
| Topological Polar Surface Area (TPSA) | 54.40 Ų |
| XlogP | 6.20 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.01% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.40% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.97% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.55% | 97.25% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.05% | 100.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 90.56% | 94.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.49% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.06% | 96.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.82% | 82.69% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.43% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.82% | 99.23% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 85.72% | 90.08% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.14% | 90.71% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 81.72% | 91.24% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.72% | 90.17% |
| CHEMBL344 | Q99705 | Melanin-concentrating hormone receptor 1 | 80.97% | 92.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.31% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.11% | 91.19% |
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 | 146684310 |
| LOTUS | LTS0085137 |
| wikiData | Q105129419 |