This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration. This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration.

5-Heptadecylresorcinol

PubChem CID: 181700

Connections displayed (default: 10).
Loading graph...

ℹ️ Click here to know more about the properties
Compound Synonyms 5-Heptadecylresorcinol, 5-heptadecylbenzene-1,3-diol, 41442-57-3, 5-N-Heptadecylresorcinol, 5-Heptadecyl-1,3-benzenediol, MXE8ZPJ5XE, 5-Heptadecyl-1,3-dihydroxybenzene, CHEBI:145967, DTXSID50920522, 1,3-dihydroxy-5-n-heptadecylbenzene, 1,3-DIHYDROXY-5-HEPTADECYLBENZENE, 5-Heptadecyl-1,3-benzenediol, 1,3-Dihydroxy-5-heptadecylbenzene, 5-Heptadecylresorcinol, 1,3-Benzenediol, 5-heptadecyl-, UNII-MXE8ZPJ5XE, CHEMBL497530, SCHEMBL1914183, DTXCID101349434, HY-N2673, RBA44257, LMPK15030003, AKOS022184647, FS-9410, 5-Heptadecylresorcinol, analytical standard, DB-340892, CS-0023110, G78900, 664-055-8
Topological Polar Surface Area 40.5
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 25.0
Description Isolated from cereal grains. 5-Heptadecyl-1,3-benzenediol is found in many foods, some of which are oat, corn, breakfast cereal, and barley.
Isotope Atom Count 0.0
Molecular Complexity 269.0
Database Name cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 5-heptadecylbenzene-1,3-diol
Prediction Hob 0.0
Xlogp 10.1
Molecular Formula C23H40O2
Prediction Swissadme 0.0
Inchi Key BBGNINPPDHJETF-UHFFFAOYSA-N
Fcsp3 0.7391304347826086
Logs -3.838
Rotatable Bond Count 16.0
Logd 4.761
Synonyms 5-heptadecylbenzene-1,3-diol, 5-Heptadecylresorcinol
Compound Name 5-Heptadecylresorcinol
Prediction Hob Swissadme 0.0
Exact Mass 348.303
Formal Charge 0.0
Monoisotopic Mass 348.303
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 348.6
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -7.5046402
Inchi InChI=1S/C23H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-22(24)20-23(25)19-21/h18-20,24-25H,2-17H2,1H3
Smiles CCCCCCCCCCCCCCCCCC1=CC(=CC(=C1)O)O
Nring 1.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Arisarum Vulgare (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Canarium Vulgare (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Clinopodium Vulgare (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Echium Vulgare (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Foeniculum Vulgare (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Hordeum Bulbosum (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Hordeum Vulgare (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 8. Outgoing r'ship FOUND_IN to/from Leucanthemum Vulgare (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Leucojum Aestivum (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Ligustrum Vulgare (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Marrubium Vulgare (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Origanum Vulgare (Plant) Rel Props:Reference:
  • 13. Outgoing r'ship FOUND_IN to/from Polypodium Vulgare (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Protea Mellifera (Plant) Rel Props:Reference:
  • 15. Outgoing r'ship FOUND_IN to/from Salvia Mellifera (Plant) Rel Props:Reference:
  • 16. Outgoing r'ship FOUND_IN to/from Secale Cereale (Plant) Rel Props:Source_db:npass_chem_all
  • 17. Outgoing r'ship FOUND_IN to/from Senegalia Mellifera (Plant) Rel Props:Reference:
  • 18. Outgoing r'ship FOUND_IN to/from Sorghum Vulgare (Plant) Rel Props:Reference:
  • 19. Outgoing r'ship FOUND_IN to/from Tanacetum Vulgare (Plant) Rel Props:Reference:
  • 20. Outgoing r'ship FOUND_IN to/from Tripolium Vulgare (Plant) Rel Props:Reference:
  • 21. Outgoing r'ship FOUND_IN to/from Triticum Aestivum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 22. Outgoing r'ship FOUND_IN to/from Triticum Durum (Plant) Rel Props:Source_db:npass_chem_all
  • 23. Outgoing r'ship FOUND_IN to/from Triticum Estivum (Plant) Rel Props:Reference:
  • 24. Outgoing r'ship FOUND_IN to/from Triticum Sativum (Plant) Rel Props:Reference:
  • 25. Outgoing r'ship FOUND_IN to/from Triticum Vulgare (Plant) Rel Props:Reference:
Back to Browse   Back to Home