CID 10088978
| Internal ID | 2ed72c35-8f90-4f00-be8b-90946cc6db07 |
| Taxonomy | Organoheterocyclic compounds > Lactones > Gamma butyrolactones |
| IUPAC Name | |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H26O5/c1-12-9-13-15-17(2,16(22)24-13)5-4-6-18(15,3)20(12)10-14(21)19(25-20)7-8-23-11-19/h7-8,12-13,15H,4-6,9-11H2,1-3H3/t12-,13-,15+,17+,18+,19+,20-/m1/s1 |
| InChI Key | JJFPECOASGDKQV-GBJBSKOPSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H26O5 |
| Molecular Weight | 346.40 g/mol |
| Exact Mass | 346.17802393 g/mol |
| Topological Polar Surface Area (TPSA) | 61.80 Ų |
| XlogP | 2.60 |
| 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 | 95.57% | 97.25% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.15% | 99.23% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.93% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.16% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.71% | 97.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.41% | 82.69% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 89.29% | 89.63% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.13% | 94.75% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 87.62% | 93.40% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.00% | 96.09% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 86.70% | 95.71% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 85.69% | 85.30% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.50% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.87% | 86.33% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 84.69% | 97.79% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.75% | 93.04% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.37% | 85.14% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 82.78% | 86.00% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 81.20% | 95.92% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.95% | 92.94% |
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.
| Marrubium astracanicum |
| PubChem | 10088978 |
| LOTUS | LTS0079161 |
| wikiData | Q105129628 |