Pilocarpidin
Internal ID | 449da6f8-f9fb-40a9-b2c5-9aefd370f773 |
Taxonomy | Organoheterocyclic compounds > Lactones > Gamma butyrolactones |
IUPAC Name | 3-ethyl-4-(1H-imidazol-5-ylmethyl)oxolan-2-one |
SMILES (Canonical) | CCC1C(COC1=O)CC2=CN=CN2 |
SMILES (Isomeric) | CCC1C(COC1=O)CC2=CN=CN2 |
InChI | InChI=1S/C10H14N2O2/c1-2-9-7(5-14-10(9)13)3-8-4-11-6-12-8/h4,6-7,9H,2-3,5H2,1H3,(H,11,12) |
InChI Key | QVRFSYRSSMDRPS-UHFFFAOYSA-N |
Popularity | 26 references in papers |
Molecular Formula | C10H14N2O2 |
Molecular Weight | 194.23 g/mol |
Exact Mass | 194.105527694 g/mol |
Topological Polar Surface Area (TPSA) | 55.00 Ų |
XlogP | 1.10 |
NSC407277 |
NSC-407277 |
FT-0699536 |
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 |
---|---|---|---|---|
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.80% | 96.09% |
CHEMBL255 | P29275 | Adenosine A2b receptor | 95.69% | 98.59% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.33% | 97.25% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.81% | 94.45% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.67% | 97.09% |
CHEMBL3038469 | P24941 | CDK2/Cyclin A | 88.34% | 91.38% |
CHEMBL230 | P35354 | Cyclooxygenase-2 | 87.31% | 89.63% |
CHEMBL2581 | P07339 | Cathepsin D | 87.01% | 98.95% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.84% | 99.23% |
CHEMBL3401 | O75469 | Pregnane X receptor | 84.75% | 94.73% |
CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 84.71% | 89.34% |
CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 84.65% | 97.64% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.66% | 85.14% |
CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 83.26% | 83.57% |
CHEMBL2850 | P49840 | Glycogen synthase kinase-3 alpha | 83.10% | 88.84% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.74% | 94.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.85% | 95.56% |
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.
Amorpha fruticosa |
PubChem | 117405 |
LOTUS | LTS0051359 |
wikiData | Q104914261 |