3-[(1S)-1-methoxypentadecyl]-5-methylidenefuran-2-one
| Internal ID | 170768e0-23f5-4588-95e0-7ef01810d071 |
| Taxonomy | Organoheterocyclic compounds > Dihydrofurans > Furanones > Butenolides |
| IUPAC Name | 3-[(1S)-1-methoxypentadecyl]-5-methylidenefuran-2-one |
| SMILES (Canonical) | CCCCCCCCCCCCCCC(C1=CC(=C)OC1=O)OC |
| SMILES (Isomeric) | CCCCCCCCCCCCCC[C@@H](C1=CC(=C)OC1=O)OC |
| InChI | InChI=1S/C21H36O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23-3)19-17-18(2)24-21(19)22/h17,20H,2,4-16H2,1,3H3/t20-/m0/s1 |
| InChI Key | MRQIXVNNGPNWED-FQEVSTJZSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H36O3 |
| Molecular Weight | 336.50 g/mol |
| Exact Mass | 336.26644501 g/mol |
| Topological Polar Surface Area (TPSA) | 35.50 Ų |
| XlogP | 7.80 |
| There are no found synonyms. |
![2D Structure of 3-[(1S)-1-methoxypentadecyl]-5-methylidenefuran-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/3-1s-1-methoxypentadecyl-5-methylidenefuran-2-one.jpg "2D Structure of 3-[(1S)-1-methoxypentadecyl]-5-methylidenefuran-2-one")
| 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 | 98.41% | 98.95% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 96.14% | 89.63% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 93.81% | 85.94% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.46% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.33% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.26% | 91.11% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 87.71% | 92.08% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.25% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.10% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.37% | 86.33% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 84.91% | 91.81% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 84.89% | 93.31% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.38% | 93.56% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 81.81% | 92.86% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.60% | 94.45% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 81.26% | 97.29% |
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.
| Cinnamomum subavenium |
| PubChem | 163002803 |
| LOTUS | LTS0102729 |
| wikiData | Q105170820 |