3-[(Z)-hexadec-7-enyl]-4-hydroxy-5-methylidenefuran-2-one
| Internal ID | 035cf157-3c85-4ea3-a823-59b11294cc77 |
| Taxonomy | Organoheterocyclic compounds > Dihydrofurans > Furanones > Butenolides |
| IUPAC Name | 3-[(Z)-hexadec-7-enyl]-4-hydroxy-5-methylidenefuran-2-one |
| SMILES (Canonical) | CCCCCCCCC=CCCCCCCC1=C(C(=C)OC1=O)O |
| SMILES (Isomeric) | CCCCCCCC/C=C\CCCCCCC1=C(C(=C)OC1=O)O |
| InChI | InChI=1S/C21H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-20(22)18(2)24-21(19)23/h10-11,22H,2-9,12-17H2,1H3/b11-10- |
| InChI Key | FQBFINSNDQQQIS-KHPPLWFESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H34O3 |
| Molecular Weight | 334.50 g/mol |
| Exact Mass | 334.25079494 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 7.70 |
| There are no found synonyms. |
![2D Structure of 3-[(Z)-hexadec-7-enyl]-4-hydroxy-5-methylidenefuran-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/3-z-hexadec-7-enyl-4-hydroxy-5-methylidenefuran-2-one.jpg "2D Structure of 3-[(Z)-hexadec-7-enyl]-4-hydroxy-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 |
|---|---|---|---|---|
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 98.04% | 89.63% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.20% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.84% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.05% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.27% | 94.73% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 92.05% | 92.08% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.34% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.29% | 86.33% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 86.01% | 89.34% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.75% | 99.23% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 84.03% | 83.57% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 83.26% | 96.37% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 82.59% | 97.29% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.54% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.60% | 89.00% |
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.
| Lomatium dissectum |
| PubChem | 101288443 |
| LOTUS | LTS0131307 |
| wikiData | Q104999514 |