(E,6R)-2-methyl-6-[(1S,2R,11R,14R,15S)-2,6,6,11,15-pentamethyl-5-oxo-14-tricyclo[8.7.0.02,7]heptadeca-3,7,9-trienyl]hept-2-enoic acid
| Internal ID | be0871d8-ad0f-4018-9814-b531a2b7b30a |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Medium-chain fatty acids |
| IUPAC Name | (E,6R)-2-methyl-6-[(1S,2R,11R,14R,15S)-2,6,6,11,15-pentamethyl-5-oxo-14-tricyclo[8.7.0.02,7]heptadeca-3,7,9-trienyl]hept-2-enoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H44O3/c1-19(9-8-10-22(4)28(32)33)23-13-11-21(3)24-14-16-26-29(5,6)27(31)17-18-30(26,7)25(24)15-12-20(23)2/h10,14,16-21,23,25H,8-9,11-13,15H2,1-7H3,(H,32,33)/b22-10+/t19-,20+,21-,23-,25+,30-/m1/s1 |
| InChI Key | MTZRULNSQUCMOK-SZHCTRHUSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C30H44O3 |
| Molecular Weight | 452.70 g/mol |
| Exact Mass | 452.32904526 g/mol |
| Topological Polar Surface Area (TPSA) | 54.40 Ų |
| XlogP | 7.90 |
| There are no found synonyms. |
![2D Structure of (E,6R)-2-methyl-6-[(1S,2R,11R,14R,15S)-2,6,6,11,15-pentamethyl-5-oxo-14-tricyclo[8.7.0.02,7]heptadeca-3,7,9-trienyl]hept-2-enoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/a6c321e0-8569-11ee-8b80-7d2651bf49f4.jpg "2D Structure of (E,6R)-2-methyl-6-[(1S,2R,11R,14R,15S)-2,6,6,11,15-pentamethyl-5-oxo-14-tricyclo[8.7.0.02,7]heptadeca-3,7,9-trienyl]hept-2-enoic acid")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.13% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.84% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.27% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.38% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.63% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.46% | 94.45% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 88.05% | 93.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.20% | 91.19% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.71% | 89.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.47% | 96.47% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.10% | 93.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.05% | 99.23% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 84.62% | 91.49% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.50% | 95.89% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 84.40% | 96.61% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.58% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.99% | 97.25% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 82.63% | 93.04% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.06% | 96.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.43% | 90.08% |
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.
| There are no matching plants. |
| PubChem | 101662534 |
| LOTUS | LTS0098921 |
| wikiData | Q104251620 |