CID 162978436
| Internal ID | 69bd21a4-06b3-48b0-843a-4f08f8a27271 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H34O5/c1-13-4-5-14-17(2,12-21)15(22)6-7-18(14,3)20(13)9-8-19(25-20)10-11-24-16(19)23/h13-16,21-23H,4-12H2,1-3H3/t13-,14+,15+,16-,17+,18+,19+,20-/m1/s1 |
| InChI Key | PZPXCEHEWWBOLN-XRCRNOGCSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H34O5 |
| Molecular Weight | 354.50 g/mol |
| Exact Mass | 354.24062418 g/mol |
| Topological Polar Surface Area (TPSA) | 79.20 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 92.97% | 83.82% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.80% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.99% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.57% | 91.11% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 90.20% | 96.61% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 90.11% | 89.05% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.36% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.01% | 92.94% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.58% | 100.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.74% | 95.50% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 83.91% | 85.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.80% | 95.89% |
| CHEMBL5555 | O00767 | Acyl-CoA desaturase | 81.59% | 97.50% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 81.06% | 95.71% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.97% | 96.95% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 80.59% | 100.00% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 80.56% | 97.64% |
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.
| Leucas capensis |
| PubChem | 162978436 |
| LOTUS | LTS0125506 |
| wikiData | Q105217072 |