tetracosyl (Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
PubChem CID: 157010092
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 55.8 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | VUUWEVURXOCTGG-SGEDCAFJSA-N |
| Rotatable Bond Count | 27.0 |
| Synonyms | Lignoceryl ferulate, Tetracosyl (E)-ferulate, Tetracosyl trans-ferulate |
| Heavy Atom Count | 38.0 |
| Compound Name | tetracosyl (Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
| Description | Tetracosyl ferulate belongs to coumaric acids and derivatives class of compounds. Those are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring. Tetracosyl ferulate is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Tetracosyl ferulate can be found in potato, which makes tetracosyl ferulate a potential biomarker for the consumption of this food product. |
| Exact Mass | 530.434 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 530.434 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 547.0 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 530.8 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | tetracosyl (Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Inchi | InChI=1S/C34H58O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29-38-34(36)28-26-31-25-27-32(35)33(30-31)37-2/h25-28,30,35H,3-24,29H2,1-2H3/b28-26- |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)/C=C\C1=CC(=C(C=C1)O)OC |
| Xlogp | 13.9 |
| Defined Bond Stereocenter Count | 1.0 |
| Molecular Formula | C34H58O4 |
- 1. Outgoing r'ship
FOUND_INto/from Solanum Tuberosum (Plant) Rel Props:Source_db:fooddb_chem_all