Eicosyl ferulate
PubChem CID: 6440080
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| Compound Synonyms | Eicosyl ferulate, 133882-79-8, Icosyl 3-(4-hydroxy-3-methoxyphenyl)acrylate, icosyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate, 64190-82-5, Icosyl ferulate, eicosanyl ferulate, CHEMBL3588938, SCHEMBL21034324, SCHEMBL22462703, HY-N8490, AKOS022184583, FS-9373, AC-33995, DB-342619, CS-0144821, Icosyl3-(4-hydroxy-3-methoxyphenyl)acrylate, 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, eicosyl ester |
|---|---|
| Topological Polar Surface Area | 55.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 34.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 490.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | icosyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
| Prediction Hob | 0.0 |
| Xlogp | 11.8 |
| Molecular Formula | C30H50O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UBNJQWYYWIBSGN-ZNTNEXAZSA-N |
| Fcsp3 | 0.7 |
| Logs | -7.011 |
| Rotatable Bond Count | 23.0 |
| Logd | 4.551 |
| Compound Name | Eicosyl ferulate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 474.371 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 474.371 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 474.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -8.798389435294117 |
| Inchi | InChI=1S/C30H50O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-34-30(32)24-22-27-21-23-28(31)29(26-27)33-2/h21-24,26,31H,3-20,25H2,1-2H3/b24-22+ |
| Smiles | CCCCCCCCCCCCCCCCCCCCOC(=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 Koelreuteria Paniculata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Larix Laricina (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Linum Usitatissimum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all