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2-hydroxy-6-[(8Z,11Z)-pentadeca-8,11-dien-1-yl]benzoic acid

PubChem CID: 11824131

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Compound Synonyms Anacardic acid diene, (15:2)-Anacardic acid, 2-hydroxy-6-[(8Z,11Z)-pentadeca-8,11-dien-1-yl]benzoic acid, 2-Hydroxy-6-8Z,11Z-pentadecadien-1-yl-benzoic acid, ana-cardic acid, SCHEMBL154719, CHEMBL451725, DTXSID10872876, HY-N7854, AKOS040735494, CS-0138553, 2-Hydroxy-6-(8,11-pentadecadienyl)-(Z,Z)-Benzoic acid, 2-Hydroxy-6-(8Z,11Z)-8,11-pentadecadien-1-yl-Benzoic acid, 2-hydroxy-6-[(8Z,11Z)-pentadeca-8,11-dienyl]benzoic acid
Topological Polar Surface Area 57.5
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 25.0
Description Found in cashew nut shell Anacardic acids are chemical compounds found in the shell of the cashew nut (Anacardium occidentale). Chemically, anacardic acid is a mixture of several closely related organic compounds. Each consists of a salicylic acid substituted with an alkyl chain that has 15 or 17 carbon atoms, anacardic acid is a mixture of saturated and unsaturated molecules. The exact mixture depends on the species of the plant and the major component is C5:3 all-Z.
Isotope Atom Count 0.0
Molecular Complexity 400.0
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id O42713
Iupac Name 2-hydroxy-6-[(8Z,11Z)-pentadeca-8,11-dienyl]benzoic acid
Prediction Hob 0.0
Class Benzene and substituted derivatives
Xlogp 7.9
Superclass Benzenoids
Subclass Benzoic acids and derivatives
Molecular Formula C22H32O3
Prediction Swissadme 0.0
Inchi Key KAOMOVYHGLSFHQ-UTOQUPLUSA-N
Fcsp3 0.5
Logs -2.758
Rotatable Bond Count 13.0
State Solid
Logd 4.375
Synonyms (15:2)-Anacardic acid, 2-Hydroxy-6-(8,11-pentadecadienyl)-(Z,Z)-benzoic acid, 2-Hydroxy-6-(8Z,11Z)-8,11-pentadecadien-1-yl-benzoic acid, Anacardic acid diene, Benzoic acid, 2-hydroxy-6-(8,11-pentadecadienyl)-, (Z,Z)-, Benzoic acid, 2-hydroxy-6-(8Z,11Z)-8,11-pentadecadien-1-yl-, Anacardate, 2-Hydroxy-6-[(8Z,11Z)-pentadeca-8,11-dien-1-yl]benzoate
Compound Name 2-hydroxy-6-[(8Z,11Z)-pentadeca-8,11-dien-1-yl]benzoic acid
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 344.235
Formal Charge 0.0
Monoisotopic Mass 344.235
Hydrogen Bond Acceptor Count 3.0
Molecular Weight 344.5
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 2.0
Molecular Framework Aromatic homomonocyclic compounds
Esol -6.247268999999999
Inchi InChI=1S/C22H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h4-5,7-8,15,17-18,23H,2-3,6,9-14,16H2,1H3,(H,24,25)/b5-4-,8-7-
Smiles CCC/C=C\C/C=C\CCCCCCCC1=C(C(=CC=C1)O)C(=O)O
Nring 1.0
Defined Bond Stereocenter Count 2.0
Taxonomy Direct Parent Salicylic acids

  • 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;fooddb_chem_all;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 Ginkgo Biloba (Plant) Rel Props:Source_db:fooddb_chem_all
  • 23. Outgoing r'ship FOUND_IN to/from Justicia Adhatoda (Plant) Rel Props:Reference:
  • 24. Outgoing r'ship FOUND_IN to/from Justicia Aurea (Plant) Rel Props:Reference:
  • 25. Outgoing r'ship FOUND_IN to/from Justicia Beddomei (Plant) Rel Props:Reference:
  • 26. Outgoing r'ship FOUND_IN to/from Justicia Betonica (Plant) Rel Props:Reference:
  • 27. Outgoing r'ship FOUND_IN to/from Justicia Bilvalvis (Plant) Rel Props:Reference:
  • 28. Outgoing r'ship FOUND_IN to/from Justicia Ciliata (Plant) Rel Props:Reference:
  • 29. Outgoing r'ship FOUND_IN to/from Justicia Diffusa (Plant) Rel Props:Reference:
  • 30. Outgoing r'ship FOUND_IN to/from Justicia Gendarussa (Plant) Rel Props:Reference:
  • 31. Outgoing r'ship FOUND_IN to/from Justicia Glauca (Plant) Rel Props:Reference:
  • 32. Outgoing r'ship FOUND_IN to/from Justicia Hayatai (Plant) Rel Props:Source_db:npass_chem_all
  • 33. Outgoing r'ship FOUND_IN to/from Justicia Japonica (Plant) Rel Props:Reference:
  • 34. Outgoing r'ship FOUND_IN to/from Justicia Neck (Plant) Rel Props:Reference:
  • 35. Outgoing r'ship FOUND_IN to/from Justicia Neesii (Plant) Rel Props:Reference:
  • 36. Outgoing r'ship FOUND_IN to/from Justicia Paniculata (Plant) Rel Props:Reference:
  • 37. Outgoing r'ship FOUND_IN to/from Justicia Procumbens (Plant) Rel Props:Reference:
  • 38. Outgoing r'ship FOUND_IN to/from Justicia Prostrata (Plant) Rel Props:Reference:
  • 39. Outgoing r'ship FOUND_IN to/from Justicia Quinqueangularis (Plant) Rel Props:Reference:
  • 40. Outgoing r'ship FOUND_IN to/from Justicia Secunda (Plant) Rel Props:Reference:
  • 41. Outgoing r'ship FOUND_IN to/from Justicia Simplex (Plant) Rel Props:Reference:
  • 42. Outgoing r'ship FOUND_IN to/from Justicia Tranquebariensis (Plant) Rel Props:Reference:
  • 43. Outgoing r'ship FOUND_IN to/from Justicia Trinervia (Plant) Rel Props:Reference:
  • 44. Outgoing r'ship FOUND_IN to/from Lonicera Similis (Plant) Rel Props:Reference:
  • 45. Outgoing r'ship FOUND_IN to/from Maackia Amurensis (Plant) Rel Props:Reference:
  • 46. Outgoing r'ship FOUND_IN to/from Ononis Viscosa (Plant) Rel Props:Reference:
  • 47. Outgoing r'ship FOUND_IN to/from Photinia Serratifolia (Plant) Rel Props:Reference:
  • 48. Outgoing r'ship FOUND_IN to/from Potentilla Viscosa (Plant) Rel Props:Reference:
  • 49. Outgoing r'ship FOUND_IN to/from Premna Serratifolia (Plant) Rel Props:Reference:
  • 50. Outgoing r'ship FOUND_IN to/from Primula Viscosa (Plant) Rel Props:Reference:
  • 51. Outgoing r'ship FOUND_IN to/from Ptelea Viscosa (Plant) Rel Props:Reference:
  • 52. Outgoing r'ship FOUND_IN to/from Pteris Altissima (Plant) Rel Props:Reference:
  • 53. Outgoing r'ship FOUND_IN to/from Pteris Aquilina (Plant) Rel Props:Reference:
  • 54. Outgoing r'ship FOUND_IN to/from Pteris Australis (Plant) Rel Props:Reference:
  • 55. Outgoing r'ship FOUND_IN to/from Pteris Bella (Plant) Rel Props:Reference:
  • 56. Outgoing r'ship FOUND_IN to/from Pteris Biaurita (Plant) Rel Props:Reference:
  • 57. Outgoing r'ship FOUND_IN to/from Pteris Cretica (Plant) Rel Props:Reference:
  • 58. Outgoing r'ship FOUND_IN to/from Pteris Dactylina (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 59. Outgoing r'ship FOUND_IN to/from Pteris Ensiformis (Plant) Rel Props:Reference:
  • 60. Outgoing r'ship FOUND_IN to/from Pteris Fauriei (Plant) Rel Props:Reference:
  • 61. Outgoing r'ship FOUND_IN to/from Pteris Glauca (Plant) Rel Props:Reference:
  • 62. Outgoing r'ship FOUND_IN to/from Pteris Inaequalis (Plant) Rel Props:Reference:
  • 63. Outgoing r'ship FOUND_IN to/from Pteris Japonica (Plant) Rel Props:Reference:
  • 64. Outgoing r'ship FOUND_IN to/from Pteris Kiuschiuensis (Plant) Rel Props:Reference:
  • 65. Outgoing r'ship FOUND_IN to/from Pteris Linearis (Plant) Rel Props:Reference:
  • 66. Outgoing r'ship FOUND_IN to/from Pteris Longipes (Plant) Rel Props:Reference:
  • 67. Outgoing r'ship FOUND_IN to/from Pteris Multifida (Plant) Rel Props:Reference:
  • 68. Outgoing r'ship FOUND_IN to/from Pteris Pacifica (Plant) Rel Props:Reference:
  • 69. Outgoing r'ship FOUND_IN to/from Pteris Pedata (Plant) Rel Props:Reference:
  • 70. Outgoing r'ship FOUND_IN to/from Pteris Plumbea (Plant) Rel Props:Reference:
  • 71. Outgoing r'ship FOUND_IN to/from Pteris Prolifera (Plant) Rel Props:Reference:
  • 72. Outgoing r'ship FOUND_IN to/from Pteris Radiata (Plant) Rel Props:Reference:
  • 73. Outgoing r'ship FOUND_IN to/from Pteris Semipinnata (Plant) Rel Props:Reference:
  • 74. Outgoing r'ship FOUND_IN to/from Pteris Spinulosa (Plant) Rel Props:Reference:
  • 75. Outgoing r'ship FOUND_IN to/from Pteris Vitata (Plant) Rel Props:Reference:
  • 76. Outgoing r'ship FOUND_IN to/from Pteris Vittata (Plant) Rel Props:Reference:
  • 77. Outgoing r'ship FOUND_IN to/from Pteris Wallichiana (Plant) Rel Props:Reference:
  • 78. Outgoing r'ship FOUND_IN to/from Pyrostegia Venusta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 79. Outgoing r'ship FOUND_IN to/from Saracha Viscosa (Plant) Rel Props:Reference:
  • 80. Outgoing r'ship FOUND_IN to/from Semecarpus Anacardium (Plant) Rel Props:Reference:
  • 81. Outgoing r'ship FOUND_IN to/from Semicarpus Anacardium (Plant) Rel Props:Reference:
  • 82. Outgoing r'ship FOUND_IN to/from Stemodia Viscosa (Plant) Rel Props:Reference:
  • 83. Outgoing r'ship FOUND_IN to/from Syringa Amurensis (Plant) Rel Props:Reference:
  • 84. Outgoing r'ship FOUND_IN to/from Valeriana Amurensis (Plant) Rel Props:Reference:
  • 85. Outgoing r'ship FOUND_IN to/from Vicia Amurensis (Plant) Rel Props:Reference:
  • 86. Outgoing r'ship FOUND_IN to/from Viscaria Viscosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 87. Outgoing r'ship FOUND_IN to/from Vitis Amurensis (Plant) Rel Props:Reference:
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