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3-Pentadecylphenol

PubChem CID: 68146

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Compound Synonyms 3-Pentadecylphenol, 3-n-Pentadecylphenol, 501-24-6, Hydroginkgol, Hydrocardanol, Phenol, 3-pentadecyl-, m-Pentadecylphenol, Tetrahydroanacardol, Cyclogallipharaol, Phenol, m-pentadecyl-, Anacardol, tetrahydro-, 3-Pentadecyl-phenol, 3-Pentadecyl Phenol, NSC 9781, 5-Pentadecylphenol, J10ATZ45ZU, 2-Deoxy-urushiol I, Cardanol C15:0, Cardolite NC-507, NSC-9781, EINECS 207-921-9, PHENOL, 3-PENTADECYL, CHEMBL34689, DTXSID9060108, PTFIPECGHSYQNR-UHFFFAOYSA-, UNII-J10ATZ45ZU, Cyclogallipharol, Anacardol?, NSC9781, Tetrahydro-Anacardol, MFCD00002310, Cardolite NC-510, 3-(n-pentadecyl)phenol, Phenol, m-pentadecyl-(8CI), 1-Hydroxy-3-pentadecylbenzene, SCHEMBL135991, Phenol, m-pentadecyl- (8CI), DTXCID8040777, CHEBI:174189, BDBM50082305, LMPK15010004, AKOS015916272, 3-Pentadecylphenol, analytical standard, HY-W127489, FP173040, LS-14918, 3-Pentadecylphenol, technical grade, 90%, CS-0185717, NS00020824, D92087, Q27281005, 207-921-9
Ghose Rule False
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 20.2
Hydrogen Bond Donor Count 1.0
Pfizer 3 75 Rule False
Scaffold Graph Level C1CCCCC1
Np Classifier Class Catechols with side chains
Deep Smiles CCCCCCCCCCCCCCCcccccc6)O
Heavy Atom Count 22.0
Classyfire Class Phenols
Description Minor constituent of lipids of Anacardium occidentale (cashew nut). 3-Pentadecylphenol is found in nuts.
Scaffold Graph Node Level C1CCCCC1
Classyfire Subclass 1-hydroxy-4-unsubstituted benzenoids
Isotope Atom Count 0.0
Molecular Complexity 226.0
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id Q2V0Y6, P13661, P62593, P24735, P05364, P00807, P08487
Iupac Name 3-pentadecylphenol
Prediction Hob 0.0
Class Phenols
Veber Rule False
Classyfire Superclass Benzenoids
Xlogp 9.4
Superclass Benzenoids
Subclass 1-hydroxy-4-unsubstituted benzenoids
Gsk 4 400 Rule False
Molecular Formula C21H36O
Scaffold Graph Node Bond Level c1ccccc1
Prediction Swissadme 0.0
Inchi Key PTFIPECGHSYQNR-UHFFFAOYSA-N
Silicos It Class Poorly soluble
Fcsp3 0.7142857142857143
Logs -6.274
Rotatable Bond Count 14.0
State Solid
Logd 4.735
Synonyms 1-Hydroxy-3-pentadecylbenzene, 2-Deoxy-urushiol I, 3-n-Pentadecylphenol, Anacardol, tetrahydro-, Anacardol?, Cardanol C15:0, Cardolite NC-507, Cyclogallipharaol, Cyclogallipharol, Hydrocardanol, Hydroginkgol, m-Pentadecylphenol, Phenol, 3-pentadecyl-, Phenol, m-pentadecyl- (8CI), Tetrahydro-anacardol, Tetrahydroanacardol, 3-Pentadecyl-phenol, 3-Pentadecyl phenol, 5-Pentadecylphenol, 3-N-Pentadecylphenol, Phenol, m-pentadecyl- (8ci), tetrahydro-Anacardol, phenol, 3-pentadecyl
Esol Class Poorly soluble
Functional Groups cO
Compound Name 3-Pentadecylphenol
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 304.277
Formal Charge 0.0
Monoisotopic Mass 304.277
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 304.5
Gi Absorption False
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aromatic homomonocyclic compounds
Lipinski Rule Of 5 True
Esol -7.255429781818181
Inchi InChI=1S/C21H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-20-17-15-18-21(22)19-20/h15,17-19,22H,2-14,16H2,1H3
Smiles CCCCCCCCCCCCCCCC1=CC(=CC=C1)O
Nring 1.0
Np Classifier Biosynthetic Pathway Polyketides
Defined Bond Stereocenter Count 0.0
Egan Rule False
Taxonomy Direct Parent 1-hydroxy-4-unsubstituted benzenoids
Np Classifier Superclass Aromatic polyketides

  • 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:
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  • 15. Outgoing r'ship FOUND_IN to/from Corydalis Ambigua (Plant) Rel Props:Reference:
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  • 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:npass_chem_all
  • 23. Outgoing r'ship FOUND_IN to/from Ginkgo Semen (Plant) Rel Props:Reference:
  • 24. Outgoing r'ship FOUND_IN to/from Ipomoea Biloba (Plant) Rel Props:Reference:
  • 25. Outgoing r'ship FOUND_IN to/from Justicia Adhatoda (Plant) Rel Props:Reference:
  • 26. Outgoing r'ship FOUND_IN to/from Justicia Aurea (Plant) Rel Props:Reference:
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  • 47. Outgoing r'ship FOUND_IN to/from Maackia Amurensis (Plant) Rel Props:Reference:
  • 48. Outgoing r'ship FOUND_IN to/from Magnolia Biloba (Plant) Rel Props:Reference:
  • 49. Outgoing r'ship FOUND_IN to/from Ononis Viscosa (Plant) Rel Props:Reference:
  • 50. Outgoing r'ship FOUND_IN to/from Photinia Serratifolia (Plant) Rel Props:Reference:
  • 51. Outgoing r'ship FOUND_IN to/from Potentilla Viscosa (Plant) Rel Props:Reference:
  • 52. Outgoing r'ship FOUND_IN to/from Premna Serratifolia (Plant) Rel Props:Reference:
  • 53. Outgoing r'ship FOUND_IN to/from Primula Viscosa (Plant) Rel Props:Reference:
  • 54. Outgoing r'ship FOUND_IN to/from Ptelea Viscosa (Plant) Rel Props:Reference:
  • 55. Outgoing r'ship FOUND_IN to/from Pteris Altissima (Plant) Rel Props:Reference:
  • 56. Outgoing r'ship FOUND_IN to/from Pteris Aquilina (Plant) Rel Props:Reference:
  • 57. Outgoing r'ship FOUND_IN to/from Pteris Australis (Plant) Rel Props:Reference:
  • 58. Outgoing r'ship FOUND_IN to/from Pteris Bella (Plant) Rel Props:Reference:
  • 59. Outgoing r'ship FOUND_IN to/from Pteris Biaurita (Plant) Rel Props:Reference:
  • 60. Outgoing r'ship FOUND_IN to/from Pteris Cretica (Plant) Rel Props:Reference:
  • 61. Outgoing r'ship FOUND_IN to/from Pteris Dactylina (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 62. Outgoing r'ship FOUND_IN to/from Pteris Ensiformis (Plant) Rel Props:Reference:
  • 63. Outgoing r'ship FOUND_IN to/from Pteris Fauriei (Plant) Rel Props:Reference:
  • 64. Outgoing r'ship FOUND_IN to/from Pteris Glauca (Plant) Rel Props:Reference:
  • 65. Outgoing r'ship FOUND_IN to/from Pteris Inaequalis (Plant) Rel Props:Reference:
  • 66. Outgoing r'ship FOUND_IN to/from Pteris Japonica (Plant) Rel Props:Reference:
  • 67. Outgoing r'ship FOUND_IN to/from Pteris Kiuschiuensis (Plant) Rel Props:Reference:
  • 68. Outgoing r'ship FOUND_IN to/from Pteris Linearis (Plant) Rel Props:Reference:
  • 69. Outgoing r'ship FOUND_IN to/from Pteris Longipes (Plant) Rel Props:Reference:
  • 70. Outgoing r'ship FOUND_IN to/from Pteris Multifida (Plant) Rel Props:Reference:
  • 71. Outgoing r'ship FOUND_IN to/from Pteris Pacifica (Plant) Rel Props:Reference:
  • 72. Outgoing r'ship FOUND_IN to/from Pteris Pedata (Plant) Rel Props:Reference:
  • 73. Outgoing r'ship FOUND_IN to/from Pteris Plumbea (Plant) Rel Props:Reference:
  • 74. Outgoing r'ship FOUND_IN to/from Pteris Prolifera (Plant) Rel Props:Reference:
  • 75. Outgoing r'ship FOUND_IN to/from Pteris Radiata (Plant) Rel Props:Reference:
  • 76. Outgoing r'ship FOUND_IN to/from Pteris Semipinnata (Plant) Rel Props:Reference:
  • 77. Outgoing r'ship FOUND_IN to/from Pteris Spinulosa (Plant) Rel Props:Reference:
  • 78. Outgoing r'ship FOUND_IN to/from Pteris Vitata (Plant) Rel Props:Reference:
  • 79. Outgoing r'ship FOUND_IN to/from Pteris Vittata (Plant) Rel Props:Reference:
  • 80. Outgoing r'ship FOUND_IN to/from Pteris Wallichiana (Plant) Rel Props:Reference:
  • 81. Outgoing r'ship FOUND_IN to/from Pyrostegia Venusta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 82. Outgoing r'ship FOUND_IN to/from Saracha Viscosa (Plant) Rel Props:Reference:
  • 83. Outgoing r'ship FOUND_IN to/from Semecarpus Anacardium (Plant) Rel Props:Reference:
  • 84. Outgoing r'ship FOUND_IN to/from Semicarpus Anacardium (Plant) Rel Props:Reference:
  • 85. Outgoing r'ship FOUND_IN to/from Stemodia Viscosa (Plant) Rel Props:Reference:
  • 86. Outgoing r'ship FOUND_IN to/from Syringa Amurensis (Plant) Rel Props:Reference:
  • 87. Outgoing r'ship FOUND_IN to/from Valeriana Amurensis (Plant) Rel Props:Reference:
  • 88. Outgoing r'ship FOUND_IN to/from Vicia Amurensis (Plant) Rel Props:Reference:
  • 89. Outgoing r'ship FOUND_IN to/from Viscaria Viscosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 90. Outgoing r'ship FOUND_IN to/from Vitis Amurensis (Plant) Rel Props:Reference:
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