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(E)-1-(4-hydroxy-3-methoxyphenyl)undec-4-en-3-one

PubChem CID: 44459413

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Compound Synonyms CHEMBL24056
Topological Polar Surface Area 46.5
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 21.0
Isotope Atom Count 0.0
Molecular Complexity 312.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name (E)-1-(4-hydroxy-3-methoxyphenyl)undec-4-en-3-one
Prediction Hob 0.0
Xlogp 4.2
Molecular Formula C18H26O3
Prediction Swissadme 0.0
Inchi Key GHBAGMWSYWCUGX-CMDGGOBGSA-N
Fcsp3 0.5
Logs -3.995
Rotatable Bond Count 10.0
Logd 3.802
Compound Name (E)-1-(4-hydroxy-3-methoxyphenyl)undec-4-en-3-one
Prediction Hob Swissadme 0.0
Exact Mass 290.188
Formal Charge 0.0
Monoisotopic Mass 290.188
Hydrogen Bond Acceptor Count 3.0
Molecular Weight 290.4
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 1.0
Esol -4.052127171428571
Inchi InChI=1S/C18H26O3/c1-3-4-5-6-7-8-9-16(19)12-10-15-11-13-17(20)18(14-15)21-2/h8-9,11,13-14,20H,3-7,10,12H2,1-2H3/b9-8+
Smiles CCCCCC/C=C/C(=O)CCC1=CC(=C(C=C1)O)OC
Nring 1.0
Defined Bond Stereocenter Count 1.0

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  • 3. Outgoing r'ship FOUND_IN to/from Cnidium Officinale (Plant) Rel Props:Reference:
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  • 6. Outgoing r'ship FOUND_IN to/from Guaiacum Officinale (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Hyssopus Officinale (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Jasminum Officinale (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Levisticum Officinale (Plant) Rel Props:Reference:
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  • 30. Outgoing r'ship FOUND_IN to/from Pinus Kesiya (Plant) Rel Props:Reference:
  • 31. Outgoing r'ship FOUND_IN to/from Pinus Koraiensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 32. Outgoing r'ship FOUND_IN to/from Pinus Krempfii (Plant) Rel Props:Reference:
  • 33. Outgoing r'ship FOUND_IN to/from Pinus Longifolia (Plant) Rel Props:Reference:
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  • 38. Outgoing r'ship FOUND_IN to/from Pinus Mugo (Plant) Rel Props:Reference:
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  • 47. Outgoing r'ship FOUND_IN to/from Pinus Sibirica (Plant) Rel Props:Reference:
  • 48. Outgoing r'ship FOUND_IN to/from Pinus Sitchensis (Plant) Rel Props:Reference:
  • 49. Outgoing r'ship FOUND_IN to/from Pinus Strobus (Plant) Rel Props:Reference:
  • 50. Outgoing r'ship FOUND_IN to/from Pinus Sylvestris (Plant) Rel Props:Reference:
  • 51. Outgoing r'ship FOUND_IN to/from Pinus Taeda (Plant) Rel Props:Reference:
  • 52. Outgoing r'ship FOUND_IN to/from Pinus Thunbergii (Plant) Rel Props:Reference:
  • 53. Outgoing r'ship FOUND_IN to/from Pinus Wallichiana (Plant) Rel Props:Reference:
  • 54. Outgoing r'ship FOUND_IN to/from Pinus Yunnanensis (Plant) Rel Props:Reference:
  • 55. Outgoing r'ship FOUND_IN to/from Rheum Officinale (Plant) Rel Props:Reference:
  • 56. Outgoing r'ship FOUND_IN to/from Schoenocaulon Officinale (Plant) Rel Props:Reference:
  • 57. Outgoing r'ship FOUND_IN to/from Sisymbrium Officinale (Plant) Rel Props:Reference:
  • 58. Outgoing r'ship FOUND_IN to/from Symphytum Officinale (Plant) Rel Props:Reference:
  • 59. Outgoing r'ship FOUND_IN to/from Taraxacum Officinale (Plant) Rel Props:Reference:
  • 60. Outgoing r'ship FOUND_IN to/from Thuja Koraiensis (Plant) Rel Props:Reference:
  • 61. Outgoing r'ship FOUND_IN to/from Zingiber Aromaticum (Plant) Rel Props:Reference:
  • 62. Outgoing r'ship FOUND_IN to/from Zingiber Capitatum (Plant) Rel Props:Reference:
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  • 66. Outgoing r'ship FOUND_IN to/from Zingiber Montanum (Plant) Rel Props:Reference:
  • 67. Outgoing r'ship FOUND_IN to/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 68. Outgoing r'ship FOUND_IN to/from Zingiber Purpureum (Plant) Rel Props:Reference:
  • 69. Outgoing r'ship FOUND_IN to/from Zingiber Roseum (Plant) Rel Props:Reference:
  • 70. Outgoing r'ship FOUND_IN to/from Zingiber Rubens (Plant) Rel Props:Reference:
  • 71. Outgoing r'ship FOUND_IN to/from Zingiber Spectabile (Plant) Rel Props:Reference:
  • 72. Outgoing r'ship FOUND_IN to/from Zingiber Zerumbet (Plant) Rel Props:Reference:
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