Epivolkenin
| Internal ID | caae0fab-d504-4b1d-9ec7-9582288952a5 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Cyanogenic glycosides |
| IUPAC Name | (1S)-4-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclopent-2-ene-1-carbonitrile |
| SMILES (Canonical) | C1C(C=CC1(C#N)OC2C(C(C(C(O2)CO)O)O)O)O |
| SMILES (Isomeric) | C1C(C=C[C@@]1(C#N)OC2C(C(C(C(O2)CO)O)O)O)O |
| InChI | InChI=1S/C12H17NO7/c13-5-12(2-1-6(15)3-12)20-11-10(18)9(17)8(16)7(4-14)19-11/h1-2,6-11,14-18H,3-4H2/t6?,7?,8?,9?,10?,11?,12-/m1/s1 |
| InChI Key | JRCWYCAEAZEYNW-WTVGNPTKSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C12H17NO7 |
| Molecular Weight | 287.27 g/mol |
| Exact Mass | 287.10050188 g/mol |
| Topological Polar Surface Area (TPSA) | 143.00 Ų |
| XlogP | -2.30 |
| NSC621683 |
| NSC-621683 |
| 2-Cyclopentene-1-carbonitrile, (1S-cis) |
| 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 | 97.65% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.84% | 96.09% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 93.71% | 95.83% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 92.84% | 95.93% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 91.63% | 96.61% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.58% | 97.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.02% | 90.17% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 87.81% | 86.92% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.53% | 95.89% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 82.01% | 100.00% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 80.46% | 97.53% |
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.
| Kiggelaria africana |
| Passiflora suberosa |
| PubChem | 5459113 |
| LOTUS | LTS0233737 |
| wikiData | Q105133839 |