4,5-Dihydropiperlonguminine
PubChem CID: 12682184
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| Compound Synonyms | 4,5-Dihydropiperlonguminine, 23512-53-0, Dihydropiperlonguminine, 2-Pentenamide, 5-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)-, (2E)-, (E)-5-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)pent-2-enamide, Da,b-Dihydropiperlonguminine, 4,5-Dihydropiperic acid isobutylamide, (E)-5-(benzo[d][1,3]dioxol-5-yl)-N-isobutylpent-2-enamide, .delta.,.alpha.,.beta.-Dihydropiperlonguminine, (E)-5-(3,4-Methylenedioxyphenyl)-2-pentenoylisobutylamide, (E)-N-Isobutyl-5-(3,4-methylenedioxyphenyl)-2-pentenamide, 2-Pentenamide, N-isobutyl-5-[3,4-(methylenedioxy)phenyl]-, N-Isobutyl-5-(3,4-methylenedioxyphenyl)-2-pentenamide, 8CI, 2-Pentenamide, 5-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)-, (E)-, 5-(1,3-Benzodioxol-5-yl)-N-(2-methylpropyl)-2-pentenamide, 9CI, (2E)-5-(2H-1,3-BENZODIOXOL-5-YL)-N-(2-METHYLPROPYL)PENT-2-ENAMIDE, 5,6-Dihydropiperlonguminine, 2-Pentenamide, N-isobutyl-5-(3,4-(methylenedioxy)phenyl)-, (E)-5-(benzo(d)(1,3)dioxol-5-yl)-N-isobutylpent-2-enamide, 56-Dihydropiperlonguminine, CHEMBL270619, SCHEMBL17073969, SCHEMBL17073971, CHEBI:173965, DTXSID101310427, HY-N11761, AKOS040763169, delta,alpha,beta-Dihydropiperlonguminine, CS-0833329, G88972, (2E)-5-(2H-1,3-Benzodioxol-5-yl)-N-(2-methylpropyl)pent-2-enimidate |
|---|---|
| Topological Polar Surface Area | 47.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Description | Alkaloid from fruits of Piper longum (long pepper). 4,5-Dihydropiperlonguminine is found in herbs and spices. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 341.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-5-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)pent-2-enamide |
| Prediction Hob | 1.0 |
| Xlogp | 3.5 |
| Molecular Formula | C16H21NO3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | CSGDXLXTJVRNEA-GQCTYLIASA-N |
| Fcsp3 | 0.4375 |
| Logs | -3.797 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.533 |
| Synonyms | 4,5-Dihydropiperlonguminine, 5-(1,3-Benzodioxol-5-yl)-N-(2-methylpropyl)-2-pentenamide, 9CI, Da,b-Dihydropiperlonguminine, N-Isobutyl-5-(3,4-methylenedioxyphenyl)-2-pentenamide, 8CI |
| Compound Name | 4,5-Dihydropiperlonguminine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 275.152 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 275.152 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 275.34 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.8112576 |
| Inchi | InChI=1S/C16H21NO3/c1-12(2)10-17-16(18)6-4-3-5-13-7-8-14-15(9-13)20-11-19-14/h4,6-9,12H,3,5,10-11H2,1-2H3,(H,17,18)/b6-4+ |
| Smiles | CC(C)CNC(=O)/C=C/CCC1=CC2=C(C=C1)OCO2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Abies Webbiana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Brickellia Longifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Bupleurum Rigidum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Carpesium Longifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Cochlearia Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Coelogyne Nitida (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Crocus Corsicus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Dichotomanthes Tristaniicarpa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Dracontium Loretense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Euphorbia Wangii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Frullania Brasiliensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Homalium Laurifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Matsumurella Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Palisota Barteri (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 15. Outgoing r'ship
FOUND_INto/from Piper Longum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 16. Outgoing r'ship
FOUND_INto/from Piper Nigrum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 17. Outgoing r'ship
FOUND_INto/from Piper Retrofractum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 18. Outgoing r'ship
FOUND_INto/from Podocarpus Minor (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 19. Outgoing r'ship
FOUND_INto/from Schefflera Venulosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 20. Outgoing r'ship
FOUND_INto/from Silene Banksia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 21. Outgoing r'ship
FOUND_INto/from Verbesina Virginica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all