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Methylcardol triene

PubChem CID: 13732723

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Compound Synonyms Methylcardol triene, 2-Methylcardol triene, 2-methyl-5-(8Z,11Z)-8,11,14-pentadecatrienyl-1,3-benzenediol, CHEMBL470345, SCHEMBL9475716, DTXSID001176549, ACA42315, 2-methyl-5-[(8Z,11Z)-pentadeca-8,11,14-trienyl]benzene-1,3-diol, HY-122522, CS-0086260, 1,3-Benzenediol, 2-methyl-5-(8Z,11Z)-8,11,14-pentadecatrienyl-
Topological Polar Surface Area 40.5
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 24.0
Isotope Atom Count 0.0
Molecular Complexity 360.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id O42713
Iupac Name 2-methyl-5-[(8Z,11Z)-pentadeca-8,11,14-trienyl]benzene-1,3-diol
Prediction Hob 0.0
Xlogp 7.5
Molecular Formula C22H32O2
Prediction Swissadme 0.0
Inchi Key UKMBKJYRCZVQFL-AFJQJTPPSA-N
Fcsp3 0.4545454545454545
Logs -3.048
Rotatable Bond Count 12.0
Logd 4.244
Compound Name Methylcardol triene
Prediction Hob Swissadme 0.0
Exact Mass 328.24
Formal Charge 0.0
Monoisotopic Mass 328.24
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 328.5
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 2.0
Esol -6.013575199999999
Inchi InChI=1S/C22H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-21(23)19(2)22(24)18-20/h3,5-6,8-9,17-18,23-24H,1,4,7,10-16H2,2H3/b6-5-,9-8-
Smiles CC1=C(C=C(C=C1O)CCCCCCC/C=C\C/C=C\CC=C)O
Nring 1.0
Defined Bond Stereocenter Count 2.0

  • 1. Outgoing r'ship FOUND_IN to/from Adonis Amurensis (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Anacardium Occidentale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 3. Outgoing r'ship FOUND_IN to/from Arnica Viscosa (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Aronia Arbutifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 5. Outgoing r'ship FOUND_IN to/from Barosma Serratifolia (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Bellardia Viscosa (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Berberis Amurensis (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Blechnum Occidentale (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Blumea Viscosa (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Centaurea Arbutifolia (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Cleome Viscosa (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Clibadium Mexiae (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 13. Outgoing r'ship FOUND_IN to/from Clibadium Microcephalum (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Clibadium Pentaneuron (Plant) Rel Props:Reference:
  • 15. Outgoing r'ship FOUND_IN to/from Corydalis Ambigua (Plant) Rel Props:Reference:
  • 16. Outgoing r'ship FOUND_IN to/from Corynandra Viscosa (Plant) Rel Props:Reference:
  • 17. Outgoing r'ship FOUND_IN to/from Delphinium Occidentale (Plant) Rel Props:Reference:
  • 18. Outgoing r'ship FOUND_IN to/from Discaria Crenata (Plant) Rel Props:Reference:
  • 19. Outgoing r'ship FOUND_IN to/from Discaria Serratifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 20. Outgoing r'ship FOUND_IN to/from Dodonaea Viscosa (Plant) Rel Props:Reference:
  • 21. Outgoing r'ship FOUND_IN to/from Eragrostis Viscosa (Plant) Rel Props:Reference:
  • 22. Outgoing r'ship FOUND_IN to/from Justicia Adhatoda (Plant) Rel Props:Reference:
  • 23. Outgoing r'ship FOUND_IN to/from Justicia Aurea (Plant) Rel Props:Reference:
  • 24. Outgoing r'ship FOUND_IN to/from Justicia Beddomei (Plant) Rel Props:Reference:
  • 25. Outgoing r'ship FOUND_IN to/from Justicia Betonica (Plant) Rel Props:Reference:
  • 26. Outgoing r'ship FOUND_IN to/from Justicia Bilvalvis (Plant) Rel Props:Reference:
  • 27. Outgoing r'ship FOUND_IN to/from Justicia Ciliata (Plant) Rel Props:Reference:
  • 28. Outgoing r'ship FOUND_IN to/from Justicia Diffusa (Plant) Rel Props:Reference:
  • 29. Outgoing r'ship FOUND_IN to/from Justicia Gendarussa (Plant) Rel Props:Reference:
  • 30. Outgoing r'ship FOUND_IN to/from Justicia Glauca (Plant) Rel Props:Reference:
  • 31. Outgoing r'ship FOUND_IN to/from Justicia Hayatai (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 32. Outgoing r'ship FOUND_IN to/from Justicia Japonica (Plant) Rel Props:Reference:
  • 33. Outgoing r'ship FOUND_IN to/from Justicia Neck (Plant) Rel Props:Reference:
  • 34. Outgoing r'ship FOUND_IN to/from Justicia Neesii (Plant) Rel Props:Reference:
  • 35. Outgoing r'ship FOUND_IN to/from Justicia Paniculata (Plant) Rel Props:Reference:
  • 36. Outgoing r'ship FOUND_IN to/from Justicia Procumbens (Plant) Rel Props:Reference:
  • 37. Outgoing r'ship FOUND_IN to/from Justicia Prostrata (Plant) Rel Props:Reference:
  • 38. Outgoing r'ship FOUND_IN to/from Justicia Quinqueangularis (Plant) Rel Props:Reference:
  • 39. Outgoing r'ship FOUND_IN to/from Justicia Secunda (Plant) Rel Props:Reference:
  • 40. Outgoing r'ship FOUND_IN to/from Justicia Simplex (Plant) Rel Props:Reference:
  • 41. Outgoing r'ship FOUND_IN to/from Justicia Tranquebariensis (Plant) Rel Props:Reference:
  • 42. Outgoing r'ship FOUND_IN to/from Justicia Trinervia (Plant) Rel Props:Reference:
  • 43. Outgoing r'ship FOUND_IN to/from Lonicera Similis (Plant) Rel Props:Reference:
  • 44. Outgoing r'ship FOUND_IN to/from Maackia Amurensis (Plant) Rel Props:Reference:
  • 45. Outgoing r'ship FOUND_IN to/from Ononis Viscosa (Plant) Rel Props:Reference:
  • 46. Outgoing r'ship FOUND_IN to/from Photinia Serratifolia (Plant) Rel Props:Reference:
  • 47. Outgoing r'ship FOUND_IN to/from Potentilla Viscosa (Plant) Rel Props:Reference:
  • 48. Outgoing r'ship FOUND_IN to/from Premna Serratifolia (Plant) Rel Props:Reference:
  • 49. Outgoing r'ship FOUND_IN to/from Primula Viscosa (Plant) Rel Props:Reference:
  • 50. Outgoing r'ship FOUND_IN to/from Ptelea Viscosa (Plant) Rel Props:Reference:
  • 51. Outgoing r'ship FOUND_IN to/from Pteris Altissima (Plant) Rel Props:Reference:
  • 52. Outgoing r'ship FOUND_IN to/from Pteris Aquilina (Plant) Rel Props:Reference:
  • 53. Outgoing r'ship FOUND_IN to/from Pteris Australis (Plant) Rel Props:Reference:
  • 54. Outgoing r'ship FOUND_IN to/from Pteris Bella (Plant) Rel Props:Reference:
  • 55. Outgoing r'ship FOUND_IN to/from Pteris Biaurita (Plant) Rel Props:Reference:
  • 56. Outgoing r'ship FOUND_IN to/from Pteris Cretica (Plant) Rel Props:Reference:
  • 57. Outgoing r'ship FOUND_IN to/from Pteris Dactylina (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 58. Outgoing r'ship FOUND_IN to/from Pteris Ensiformis (Plant) Rel Props:Reference:
  • 59. Outgoing r'ship FOUND_IN to/from Pteris Fauriei (Plant) Rel Props:Reference:
  • 60. Outgoing r'ship FOUND_IN to/from Pteris Glauca (Plant) Rel Props:Reference:
  • 61. Outgoing r'ship FOUND_IN to/from Pteris Inaequalis (Plant) Rel Props:Reference:
  • 62. Outgoing r'ship FOUND_IN to/from Pteris Japonica (Plant) Rel Props:Reference:
  • 63. Outgoing r'ship FOUND_IN to/from Pteris Kiuschiuensis (Plant) Rel Props:Reference:
  • 64. Outgoing r'ship FOUND_IN to/from Pteris Linearis (Plant) Rel Props:Reference:
  • 65. Outgoing r'ship FOUND_IN to/from Pteris Longipes (Plant) Rel Props:Reference:
  • 66. Outgoing r'ship FOUND_IN to/from Pteris Multifida (Plant) Rel Props:Reference:
  • 67. Outgoing r'ship FOUND_IN to/from Pteris Pacifica (Plant) Rel Props:Reference:
  • 68. Outgoing r'ship FOUND_IN to/from Pteris Pedata (Plant) Rel Props:Reference:
  • 69. Outgoing r'ship FOUND_IN to/from Pteris Plumbea (Plant) Rel Props:Reference:
  • 70. Outgoing r'ship FOUND_IN to/from Pteris Prolifera (Plant) Rel Props:Reference:
  • 71. Outgoing r'ship FOUND_IN to/from Pteris Radiata (Plant) Rel Props:Reference:
  • 72. Outgoing r'ship FOUND_IN to/from Pteris Semipinnata (Plant) Rel Props:Reference:
  • 73. Outgoing r'ship FOUND_IN to/from Pteris Spinulosa (Plant) Rel Props:Reference:
  • 74. Outgoing r'ship FOUND_IN to/from Pteris Vitata (Plant) Rel Props:Reference:
  • 75. Outgoing r'ship FOUND_IN to/from Pteris Vittata (Plant) Rel Props:Reference:
  • 76. Outgoing r'ship FOUND_IN to/from Pteris Wallichiana (Plant) Rel Props:Reference:
  • 77. Outgoing r'ship FOUND_IN to/from Pyrostegia Venusta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 78. Outgoing r'ship FOUND_IN to/from Saracha Viscosa (Plant) Rel Props:Reference:
  • 79. Outgoing r'ship FOUND_IN to/from Semecarpus Anacardium (Plant) Rel Props:Reference:
  • 80. Outgoing r'ship FOUND_IN to/from Semicarpus Anacardium (Plant) Rel Props:Reference:
  • 81. Outgoing r'ship FOUND_IN to/from Stemodia Viscosa (Plant) Rel Props:Reference:
  • 82. Outgoing r'ship FOUND_IN to/from Syringa Amurensis (Plant) Rel Props:Reference:
  • 83. Outgoing r'ship FOUND_IN to/from Valeriana Amurensis (Plant) Rel Props:Reference:
  • 84. Outgoing r'ship FOUND_IN to/from Vicia Amurensis (Plant) Rel Props:Reference:
  • 85. Outgoing r'ship FOUND_IN to/from Viscaria Viscosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 86. Outgoing r'ship FOUND_IN to/from Vitis Amurensis (Plant) Rel Props:Reference:
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