Isoferuloyltyramine
PubChem CID: 11289949
Connections displayed (default: 10).
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| Compound Synonyms | isoferuloyltyramine, Trans-N-Isoferuloyltyramine, CHEMBL2337116, AKOS040734605 |
|---|---|
| Topological Polar Surface Area | 78.8 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 390.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | (E)-3-(3-hydroxy-4-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Molecular Formula | C18H19NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YVJONNCAHSDDLZ-WEVVVXLNSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -4.529 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.568 |
| Compound Name | Isoferuloyltyramine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 313.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 313.131 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 313.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.8014755565217393 |
| Inchi | InChI=1S/C18H19NO4/c1-23-17-8-4-14(12-16(17)21)5-9-18(22)19-11-10-13-2-6-15(20)7-3-13/h2-9,12,20-21H,10-11H2,1H3,(H,19,22)/b9-5+ |
| Smiles | COC1=C(C=C(C=C1)/C=C/C(=O)NCCC2=CC=C(C=C2)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lycium Barbarum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Lycium Chinense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all