1-O-methyl 4-O-[(5,5,9-trimethyl-15-oxapentacyclo[11.3.1.01,10.04,9.014,16]heptadecan-13-yl)methyl] butanedioate
| Internal ID | 1b5366a6-b5f8-4247-876e-80bffd359bed |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters > Fatty acid methyl esters |
| IUPAC Name | 1-O-methyl 4-O-[(5,5,9-trimethyl-15-oxapentacyclo[11.3.1.01,10.04,9.014,16]heptadecan-13-yl)methyl] butanedioate |
| SMILES (Canonical) | CC1(CCCC2(C1CCC34C2CCC(C3)(C5C4O5)COC(=O)CCC(=O)OC)C)C |
| SMILES (Isomeric) | CC1(CCCC2(C1CCC34C2CCC(C3)(C5C4O5)COC(=O)CCC(=O)OC)C)C |
| InChI | InChI=1S/C25H38O5/c1-22(2)10-5-11-23(3)16(22)9-13-25-14-24(12-8-17(23)25,20-21(25)30-20)15-29-19(27)7-6-18(26)28-4/h16-17,20-21H,5-15H2,1-4H3 |
| InChI Key | FTUIOVKKLXDJFM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H38O5 |
| Molecular Weight | 418.60 g/mol |
| Exact Mass | 418.27192431 g/mol |
| Topological Polar Surface Area (TPSA) | 65.10 Ų |
| XlogP | 5.10 |
| There are no found synonyms. |
![2D Structure of 1-O-methyl 4-O-[(5,5,9-trimethyl-15-oxapentacyclo[11.3.1.01,10.04,9.014,16]heptadecan-13-yl)methyl] butanedioate](https://plantaedb.com/storage/docs/compounds/2023/11/f717e700-8613-11ee-84dc-3b121a62327c.jpg "2D Structure of 1-O-methyl 4-O-[(5,5,9-trimethyl-15-oxapentacyclo[11.3.1.01,10.04,9.014,16]heptadecan-13-yl)methyl] butanedioate")
| 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 | 97.13% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.06% | 91.11% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 96.99% | 96.38% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.35% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.81% | 97.25% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 92.01% | 83.82% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.77% | 91.19% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 89.53% | 95.50% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 87.20% | 95.17% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 87.00% | 94.00% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 86.57% | 98.99% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 85.74% | 92.50% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.60% | 91.07% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.59% | 92.62% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.25% | 100.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 85.11% | 94.33% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.34% | 90.17% |
| CHEMBL5028 | O14672 | ADAM10 | 83.31% | 97.50% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.83% | 82.69% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 82.38% | 97.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.86% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.40% | 95.89% |
| CHEMBL4370 | P16662 | UDP-glucuronosyltransferase 2B7 | 81.27% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.11% | 97.09% |
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.
| Polycalymma stuartii |
| PubChem | 13820261 |
| LOTUS | LTS0073420 |
| wikiData | Q105001318 |