trans-N-Feruloylputrescine
PubChem CID: 92339985
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| Compound Synonyms | trans-N-Feruloylputrescine, N-(4-Aminobutyl)-4-hydroxy-3-methoxy-Cinnamamide, N-(4-Hydroxy-3-methoxycinnamoyl)-1,4-butanediamine |
|---|---|
| Topological Polar Surface Area | 84.6 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 19.0 |
| Description | Alkaloid from Ananas comosus (pineapple). Subaphylline is found in many foods, some of which are pineapple, sweet orange, corn, and fruits. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 294.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-N-(4-aminobutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide |
| Prediction Hob | 1.0 |
| Class | Cinnamic acids and derivatives |
| Xlogp | 1.0 |
| Superclass | Phenylpropanoids and polyketides |
| Subclass | Hydroxycinnamic acids and derivatives |
| Molecular Formula | C14H20N2O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | SFUVCMKSYKHYLD-ALCCZGGFSA-N |
| Fcsp3 | 0.3571428571428571 |
| Rotatable Bond Count | 7.0 |
| State | Solid |
| Synonyms | 4-Oxy-3-methoxycinnamylputrescine, Cinnamamide, N-(4-aminobutyl)-4-hydroxy-3-methoxy-, Feruloylputrescine, N-(4-Aminobutyl)-4-hydroxy-3-methoxy-cinnamamide, N-(4-Aminobutyl)-4-hydroxy-3-methoxycinnamamide, N-(4-Hydroxy-3-methoxycinnamoyl)-1,4-butanediamine, N-feruloylputrescine, Subaphyllin, Trans-n-feruloylputrescine, N-Feruloylputrescine, trans-N-Feruloylputrescine, (2Z)-N-(4-Aminobutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enimidate |
| Compound Name | trans-N-Feruloylputrescine |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 264.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 264.147 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 264.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Esol | -1.833399210526315 |
| Inchi | InChI=1S/C14H20N2O3/c1-19-13-10-11(4-6-12(13)17)5-7-14(18)16-9-3-2-8-15/h4-7,10,17H,2-3,8-9,15H2,1H3,(H,16,18)/b7-5- |
| Smiles | COC1=C(C=CC(=C1)/C=C\C(=O)NCCCCN)O |
| Defined Bond Stereocenter Count | 1.0 |
| Taxonomy Direct Parent | Hydroxycinnamic acids and derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Ananas Comosus (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Citrus Reticulata (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Citrus Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all - 4. Outgoing r'ship
FOUND_INto/from Persea Americana (Plant) Rel Props:Source_db:fooddb_chem_all - 5. Outgoing r'ship
FOUND_INto/from Solanum Tuberosum (Plant) Rel Props:Source_db:fooddb_chem_all - 6. Outgoing r'ship
FOUND_INto/from Zea Mays (Plant) Rel Props:Source_db:fooddb_chem_all