Kauran-19-oic acid, methyl ester
| Internal ID | ddabecee-7ed6-47c0-8a46-2a43f0897a43 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
| IUPAC Name | methyl 5,9,14-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate |
| SMILES (Canonical) | CC1CC23CCC4C(C2CCC1C3)(CCCC4(C)C(=O)OC)C |
| SMILES (Isomeric) | CC1CC23CCC4C(C2CCC1C3)(CCCC4(C)C(=O)OC)C |
| InChI | InChI=1S/C21H34O2/c1-14-12-21-11-8-16-19(2,17(21)7-6-15(14)13-21)9-5-10-20(16,3)18(22)23-4/h14-17H,5-13H2,1-4H3 |
| InChI Key | BUVSDORPNUVONA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H34O2 |
| Molecular Weight | 318.50 g/mol |
| Exact Mass | 318.255880323 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 6.60 |
| BUVSDORPNUVONA-UHFFFAOYSA-N |
| Kauran-19-oic acid, methyl ester |
| 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 | 98.73% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.03% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.17% | 83.82% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 90.22% | 96.38% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 89.85% | 96.77% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.52% | 91.11% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 87.12% | 95.71% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.30% | 91.19% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 85.73% | 92.50% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 85.24% | 95.58% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.18% | 82.69% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.90% | 91.07% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 84.06% | 98.99% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.12% | 94.33% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.92% | 95.50% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 81.50% | 91.03% |
| CHEMBL233 | P35372 | Mu opioid receptor | 81.22% | 97.93% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.05% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.01% | 95.89% |
| CHEMBL4072 | P07858 | Cathepsin B | 80.97% | 93.67% |
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.
| Mikania triangularis |
| PubChem | 579127 |
| LOTUS | LTS0146456 |
| wikiData | Q104946353 |