(E,E)-Futoamide
PubChem CID: 15596445
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| Compound Synonyms | (E,E)-Futoamide, Futoamide, 23477-80-7, (2E,6E)-7-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)hepta-2,6-dienamide, 2,6-Heptadienamide, 7-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)-, (2E,6E)-, SCHEMBL20959756, CHEBI:141546, DTXSID901318594, HY-N11030, AKOS040763174, DA-73592, (2E,6E)-7-(1,3-benzodioxol-5-yl)-N-isobutyl-2,6-heptadienamide, (2E,6E)-7-(2H-1,3-benzodioxol-5-yl)-N-(2-methylpropyl)hepta-2,6-dienamide, (2E,6E)-7-(2HH-1,3-benzodioxol-5-yl)-N-(2-methylpropyl)hepta-2,6-dienamide |
|---|---|
| Topological Polar Surface Area | 47.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Description | Alkaloid from Piper longum (long pepper). (E,E)-Futoamide is found in herbs and spices. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 403.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E,6E)-7-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)hepta-2,6-dienamide |
| Prediction Hob | 1.0 |
| Xlogp | 4.4 |
| Molecular Formula | C18H23NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MRUXVACSRPRMSN-KQQUZDAGSA-N |
| Fcsp3 | 0.3888888888888889 |
| Logs | -4.102 |
| Rotatable Bond Count | 7.0 |
| Logd | 3.748 |
| Compound Name | (E,E)-Futoamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 301.168 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 301.168 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 301.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -4.768511381818182 |
| Inchi | InChI=1S/C18H23NO3/c1-14(2)12-19-18(20)8-6-4-3-5-7-15-9-10-16-17(11-15)22-13-21-16/h5-11,14H,3-4,12-13H2,1-2H3,(H,19,20)/b7-5+,8-6+ |
| Smiles | CC(C)CNC(=O)/C=C/CC/C=C/C1=CC2=C(C=C1)OCO2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Castilleja Sulphurea (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Dioscorea Sativa (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Forsythia Japonica (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Gymnosporia Trigyna (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Huperzia Miyoshiana (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Lindera Aggregata (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Piper Kadsura (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Pseudobrickellia Brasiliensis (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Rhododendron Latoucheae (Plant) Rel Props:Source_db:cmaup_ingredients