2-[(2E,6Z,9Z,12Z)-pentadeca-2,6,9,12-tetraenoxy]acetic acid
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL460654 | |
| PubChem: | 44559943 | |
| IUPAC: | 2-[(2E,6Z,9Z,12Z)-pentadeca-2,6,9,12-tetraenoxy]acetic acid | |
| Standard InChI: | InChI=1S/C17H26O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-16-17(18)19/h3-4,6-7,9-10,13-14H,2,5,8,11-12,15-16H2,1H3,(H,18,19)/b4-3-,7-6-,10-9-,14-13+ | |
| Standard InChI Key: | BJYYIZGGYGZMCV-TWMAVKMASA-N | |
| SMILES: | CC/C=CC/C=CC/C=CCC/C=C/COCC(=O)O | |
Molecular propeties
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| AlogP: | 4.28 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 12 | |
| Number of rings: | 0 | |
| Molecular Weight: | 278.19 | |
| Topological polar surface area: | 46.5 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.471 | |
| Number of carbons: | 17 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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