Ethyl Ferulate
PubChem CID: 736681
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| Compound Synonyms | Ethyl ferulate, 4046-02-0, Ferulic acid ethyl ester, ethyl 3-(4-hydroxy-3-methoxyphenyl)acrylate, Ethyl 4'-hydroxy-3'-methoxycinnamate, Ethyl 4-hydroxy-3-methoxycinnamate, 28028-62-8, ethyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate, (E)-Ethyl 3-(4-hydroxy-3-methoxyphenyl)acrylate, Ferulic acid, ethyl ester, UNII-5B8915UELW, 5B8915UELW, ORISTRACT EF, NOMCORT EF, Ethyl (2e)-3-(4-Hydroxy-3-Methoxyphenyl)prop-2-Enoate, EINECS 223-745-5, MFCD00009190, NSC-14879, AI3-23714, CHEMBL286796, Ethyl ferulate - Natural grade, NSC14879, NSC 14879, 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, ethyl ester, ETHYL 4'-HYDROXY-3'-METHOXYCINNAMAT, 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, ethyl ester, (2E)-, Ethyl (E)-ferulate, ethyl ferulic acid, ethyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate, (E)-3-(4-Hydroxy-3-methoxy-phenyl)-, ETHYL FERULATE [INCI], (E)-3-(4-Hydroxy-3-methoxy-phenyl)-acrylic acid ethyl ester, Ethyl 4-hydroxy-3-methoxycinnamate (Ferulic acid ethyl ester), HMS3885K08, BCP15347, HY-N0061, BDBM50297424, s3855, AKOS015889646, AKOS025310714, CCG-207901, DB11285, FE69857, PS-4365, ethyl (E)-4-hydroxy-3-methoxycinnamate, AC-33985, LS-14074, XE160602, Ethyl 4-hydroxy-3-methoxycinnamate, 98%, CS-0007109, EN300-226629, O11765, (E)-Ethyl3-(4-hydroxy-3-methoxyphenyl)acrylate, ethyl (E)-3-(4-hydroxy-3-methoxyphenyl)acrylate, Ethyl-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate, Q27261780, Z53836697, Ethyl (2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate, ethyl (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate, 2-Propenoic Acid, 3-(4-Hydroxy-3-Methoxyphenyl)-, Ethyl |
|---|---|
| Topological Polar Surface Area | 55.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 249.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P27338, Q04760, n.a., P49841 |
| Iupac Name | ethyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
| Prediction Hob | 1.0 |
| Target Id | NPT582, NPT1566 |
| Xlogp | 2.2 |
| Molecular Formula | C12H14O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ATJVZXXHKSYELS-FNORWQNLSA-N |
| Fcsp3 | 0.25 |
| Logs | -2.367 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.037 |
| Compound Name | Ethyl Ferulate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 222.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 222.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 222.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.5513879999999998 |
| Inchi | InChI=1S/C12H14O4/c1-3-16-12(14)7-5-9-4-6-10(13)11(8-9)15-2/h4-8,13H,3H2,1-2H3/b7-5+ |
| Smiles | CCOC(=O)/C=C/C1=CC(=C(C=C1)O)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Agave Americana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Arisaema Tortuosum (Plant) Rel Props:Source_db:npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Eupatorium Formosanum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Euphorbia Sikkimensis (Plant) Rel Props:Source_db:npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Glechoma Grandis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Glechoma Longituba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Hedychium Coronarium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Hyptis Fasciculata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Korthalsella Japonica (Plant) Rel Props:Source_db:npass_chem_all