Cyafricanin E
| Internal ID | 94615fbe-355f-491c-8df3-c6e30b598137 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (1S,2R,5S,10R,12R,13S,14R)-1,14-dihydroxy-13-(hydroxymethyl)-8-(1-hydroxypropan-2-yl)-2,5-dimethyl-15-oxatetracyclo[10.2.1.02,10.05,9]pentadec-8-en-7-one |
| SMILES (Canonical) | CC(CO)C1=C2C3CC4C(C(C(C3(CCC2(CC1=O)C)C)(O4)O)O)CO |
| SMILES (Isomeric) | CC(CO)C1=C2[C@H]3C[C@@H]4[C@H]([C@H]([C@]([C@@]3(CC[C@]2(CC1=O)C)C)(O4)O)O)CO |
| InChI | InChI=1S/C20H30O6/c1-10(8-21)15-13(23)7-18(2)4-5-19(3)12(16(15)18)6-14-11(9-22)17(24)20(19,25)26-14/h10-12,14,17,21-22,24-25H,4-9H2,1-3H3/t10?,11-,12-,14-,17-,18+,19-,20-/m1/s1 |
| InChI Key | SVURHEVZWJOPTB-FVLYOGBQSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H30O6 |
| Molecular Weight | 366.40 g/mol |
| Exact Mass | 366.20423867 g/mol |
| Topological Polar Surface Area (TPSA) | 107.00 Ų |
| XlogP | 0.30 |
| 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 | 95.16% | 91.11% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 94.96% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.38% | 97.25% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 92.83% | 98.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.10% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.94% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.56% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.93% | 98.95% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 88.79% | 89.34% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.90% | 95.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.79% | 94.75% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 87.76% | 96.61% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.91% | 100.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 86.72% | 93.04% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 85.49% | 96.77% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 84.64% | 95.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.21% | 85.14% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 83.50% | 96.90% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.59% | 91.19% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 81.92% | 97.79% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.86% | 97.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.72% | 89.00% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 81.20% | 92.88% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 80.18% | 95.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.15% | 99.23% |
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 | 146683345 |
| LOTUS | LTS0208890 |
| wikiData | Q105262466 |