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Pipercide

PubChem CID: 5372162

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Compound Synonyms Pipercide, retrofractamide B, 54794-74-0, (2E,4E,10E)-11-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)undeca-2,4,10-trienamide, (E,E,E)-11-(1,3-Benzodioxol-5-yl)-N-(2-methylpropyl)-2,4,10-undecatrienenamide, MLS002473229, Pipercide (Retrofractamide B), CHEMBL257943, SCHEMBL2351923, CHEBI:174775, RPOYGOULCHMVBB-ADDDGJNWSA-N, DTXSID001318630, HMS2198G08, BDBM50430462, HY-N10743, N-Isobutyl-11-(3,4-methylenedioxyphenyl)-2E,4E,10E-undecatrienoic amide, SMR001397316, CS-0634335, G89289, (2E,4E,10E)-11-(1,3-Benzodioxol-5-yl)-N-isobutyl-2,4,10-undecatrienamide #, (2E,4E,10E)-11-(2H-1,3-benzodioxol-5-yl)-N-(2-methylpropyl)undeca-2,4,10-trienamide, (2E,4E,6E,10E)-11-benzo[1,3]dioxol-5-yl-N-(2-methylpropyl)undeca-2,4,6,10-tetraenamide, (e,e,e)-11-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)-2,4,10-undecatrien-amide
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 47.6
Hydrogen Bond Donor Count 1.0
Pfizer 3 75 Rule False
Scaffold Graph Level C1CCC2CCCC2C1
Deep Smiles CCCNC=O)/C=C/C=C/CCCC/C=C/cccccc6)OCO5)))))))))))))))))))))C
Heavy Atom Count 26.0
Classyfire Class Benzodioxoles
Description Alkaloid from the aerial parts of Piper retrofractum (Javanese long pepper) and the fruits of Piper nigrum (pepper). Pipercide is found in herbs and spices and pepper (spice).
Scaffold Graph Node Level C1CCC2OCOC2C1
Isotope Atom Count 0.0
Molecular Complexity 496.0
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id Q96QE3, P84022, Q99700, P35610, Q9NUW8, Q03431, n.a.
Iupac Name (2E,4E,10E)-11-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)undeca-2,4,10-trienamide
Prediction Hob 0.0
Class Benzodioxoles
Veber Rule True
Classyfire Superclass Organoheterocyclic compounds
Target Id NPT1214
Xlogp 6.1
Superclass Organoheterocyclic compounds
Gsk 4 400 Rule False
Molecular Formula C22H29NO3
Scaffold Graph Node Bond Level c1ccc2c(c1)OCO2
Prediction Swissadme 0.0
Inchi Key RPOYGOULCHMVBB-ADDDGJNWSA-N
Silicos It Class Moderately soluble
Fcsp3 0.4090909090909091
Logs -4.346
Rotatable Bond Count 10.0
State Solid
Logd 4.496
Synonyms Pipercide, Retrofractamide B, Retrofractamide b, (2E,4E,10E)-11-(2H-1,3-Benzodioxol-5-yl)-N-(2-methylpropyl)undeca-2,4,10-trienimidate, pipercide, retrofractamide b
Esol Class Moderately soluble
Functional Groups C/C=C/C=C/C(=O)NC, c/C=C/C, c1cOCO1
Compound Name Pipercide
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 355.215
Formal Charge 0.0
Monoisotopic Mass 355.215
Hydrogen Bond Acceptor Count 3.0
Molecular Weight 355.5
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 3.0
Molecular Framework Aromatic heteropolycyclic compounds
Lipinski Rule Of 5 True
Esol -5.958432830769231
Inchi InChI=1S/C22H29NO3/c1-18(2)16-23-22(24)12-10-8-6-4-3-5-7-9-11-19-13-14-20-21(15-19)26-17-25-20/h6,8-15,18H,3-5,7,16-17H2,1-2H3,(H,23,24)/b8-6+,11-9+,12-10+
Smiles CC(C)CNC(=O)/C=C/C=C/CCCC/C=C/C1=CC2=C(C=C1)OCO2
Nring 1.0
Defined Bond Stereocenter Count 3.0
Egan Rule True
Taxonomy Direct Parent Benzodioxoles

  • 1. Outgoing r'ship FOUND_IN to/from Abies Webbiana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 2. Outgoing r'ship FOUND_IN to/from Brickellia Longifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 3. Outgoing r'ship FOUND_IN to/from Bupleurum Rigidum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 4. Outgoing r'ship FOUND_IN to/from Carpesium Longifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 5. Outgoing r'ship FOUND_IN to/from Cochlearia Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 6. Outgoing r'ship FOUND_IN to/from Coelogyne Nitida (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 7. Outgoing r'ship FOUND_IN to/from Crocus Corsicus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 8. Outgoing r'ship FOUND_IN to/from Dichotomanthes Tristaniicarpa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 9. Outgoing r'ship FOUND_IN to/from Dracontium Loretense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 10. Outgoing r'ship FOUND_IN to/from Euphorbia Wangii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 11. Outgoing r'ship FOUND_IN to/from Frullania Brasiliensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 12. Outgoing r'ship FOUND_IN to/from Homalium Laurifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 13. Outgoing r'ship FOUND_IN to/from Matsumurella Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 14. Outgoing r'ship FOUND_IN to/from Palisota Barteri (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 15. Outgoing r'ship FOUND_IN to/from Piper Longum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 16. Outgoing r'ship FOUND_IN to/from Piper Mullesua (Plant) Rel Props:Reference:ISBN:9788185042138
  • 17. Outgoing r'ship FOUND_IN to/from Piper Nigrum (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all
  • 18. Outgoing r'ship FOUND_IN to/from Piper Retrofractum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 19. Outgoing r'ship FOUND_IN to/from Podocarpus Minor (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 20. Outgoing r'ship FOUND_IN to/from Schefflera Venulosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 21. Outgoing r'ship FOUND_IN to/from Silene Banksia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 22. Outgoing r'ship FOUND_IN to/from Verbesina Virginica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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