CID 75166152
| Internal ID | 908b99c4-26a1-4d7d-a191-38eea4525ab0 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | |
| SMILES (Canonical) | CC(=O)OC1CCC2(C(C1(C)C)CC(=O)C(C23CCC4(O3)CC(OC4)OC)(C)OC(=O)C)C |
| SMILES (Isomeric) | CC(=O)OC1CCC2(C(C1(C)C)CC(=O)C(C23CCC4(O3)CC(OC4)OC)(C)OC(=O)C)C |
| InChI | InChI=1S/C25H38O8/c1-15(26)31-19-8-9-22(5)17(21(19,3)4)12-18(28)23(6,32-16(2)27)25(22)11-10-24(33-25)13-20(29-7)30-14-24/h17,19-20H,8-14H2,1-7H3 |
| InChI Key | LKSFITIHGZYUMQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H38O8 |
| Molecular Weight | 466.60 g/mol |
| Exact Mass | 466.25666817 g/mol |
| Topological Polar Surface Area (TPSA) | 97.40 Ų |
| XlogP | 2.50 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.31% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.83% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.26% | 85.14% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 92.14% | 92.94% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.57% | 99.23% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.75% | 82.69% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.06% | 97.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.40% | 94.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.64% | 92.62% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 86.47% | 93.03% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.95% | 91.19% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.76% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.90% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.29% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.99% | 98.95% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 83.42% | 96.39% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 82.24% | 93.04% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.70% | 95.56% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.63% | 97.14% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 81.53% | 98.99% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.31% | 94.75% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.77% | 97.28% |
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.
| Leonurus sibiricus |
| PubChem | 75166152 |
| LOTUS | LTS0072251 |
| wikiData | Q105153253 |