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8-Hydroxycannabinol

PubChem CID: 44241652

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Compound Synonyms 8-hydroxycannabinol, DTXSID201019270, 53865-22-8, 6,6,9-trimethyl-3-pentylbenzo(c)chromene-1,8-diol, 6,6,9-trimethyl-3-pentylbenzo[c]chromene-1,8-diol, CHEMBL550897, DTXCID601477242
Topological Polar Surface Area 49.7
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 24.0
Isotope Atom Count 0.0
Molecular Complexity 421.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 6,6,9-trimethyl-3-pentylbenzo[c]chromene-1,8-diol
Prediction Hob 1.0
Xlogp 5.8
Molecular Formula C21H26O3
Prediction Swissadme 0.0
Inchi Key XUERFRQVGLONMR-UHFFFAOYSA-N
Fcsp3 0.4285714285714285
Logs -4.056
Rotatable Bond Count 4.0
Logd 4.346
Compound Name 8-Hydroxycannabinol
Prediction Hob Swissadme 0.0
Exact Mass 326.188
Formal Charge 0.0
Monoisotopic Mass 326.188
Hydrogen Bond Acceptor Count 3.0
Molecular Weight 326.4
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -5.5987032
Inchi InChI=1S/C21H26O3/c1-5-6-7-8-14-10-18(23)20-15-9-13(2)17(22)12-16(15)21(3,4)24-19(20)11-14/h9-12,22-23H,5-8H2,1-4H3
Smiles CCCCCC1=CC(=C2C(=C1)OC(C3=C2C=C(C(=C3)O)C)(C)C)O
Nring 3.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Avena Sativa (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Cannabis Sativa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 3. Outgoing r'ship FOUND_IN to/from Castanea Sativa (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Daucus Carota (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Dioscorea Sativa (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Eruca Sativa (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Eruca Vesicaria (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Lactuca Sativa (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Medicago Sativa (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Nigella Sativa (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Oryza Sativa (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Pastinaca Sativa (Plant) Rel Props:Reference:
  • 13. Outgoing r'ship FOUND_IN to/from Vicia Sativa (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Ziziphus Sativa (Plant) Rel Props:Reference:
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