methyl (1S,2S,3R,6R,7R,10S,11S,12S)-2-decyltetracyclo[8.2.1.03,12.06,11]trideca-4,8-diene-7-carboxylate
| Internal ID | d78612be-16d9-49f5-8a97-a1b530a52aac |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Carboxylic acid derivatives > Carboxylic acid esters > Methyl esters |
| IUPAC Name | methyl (1S,2S,3R,6R,7R,10S,11S,12S)-2-decyltetracyclo[8.2.1.03,12.06,11]trideca-4,8-diene-7-carboxylate |
| SMILES (Canonical) | CCCCCCCCCCC1C2CC3C=CC(C4C3C2C1C=C4)C(=O)OC |
| SMILES (Isomeric) | CCCCCCCCCC[C@H]1[C@@H]2C[C@H]3C=C[C@H]([C@H]4[C@@H]3[C@@H]2[C@@H]1C=C4)C(=O)OC |
| InChI | InChI=1S/C25H38O2/c1-3-4-5-6-7-8-9-10-11-18-19-14-15-20-21(25(26)27-2)13-12-17-16-22(18)24(19)23(17)20/h12-15,17-24H,3-11,16H2,1-2H3/t17-,18-,19-,20+,21-,22+,23-,24-/m1/s1 |
| InChI Key | ILBLNWRALCTWGL-LYDSDTOKSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C25H38O2 |
| Molecular Weight | 370.60 g/mol |
| Exact Mass | 370.287180451 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 8.00 |
| There are no found synonyms. |
![2D Structure of methyl (1S,2S,3R,6R,7R,10S,11S,12S)-2-decyltetracyclo[8.2.1.03,12.06,11]trideca-4,8-diene-7-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/bae79510-853b-11ee-a7c1-d377c35126b9.jpg "2D Structure of methyl (1S,2S,3R,6R,7R,10S,11S,12S)-2-decyltetracyclo[8.2.1.03,12.06,11]trideca-4,8-diene-7-carboxylate")
| 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 | 97.91% | 96.09% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 96.40% | 89.63% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.75% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.14% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.93% | 99.17% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 90.03% | 96.95% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 88.29% | 97.29% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.10% | 98.95% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 85.65% | 92.86% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.63% | 100.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 85.34% | 94.33% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 85.09% | 83.82% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 84.68% | 90.24% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.03% | 91.19% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.55% | 97.21% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.53% | 95.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.07% | 97.09% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.84% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.82% | 94.45% |
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.
| Beilschmiedia erithrophloia |
| PubChem | 25208127 |
| LOTUS | LTS0073988 |
| wikiData | Q105115071 |