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1,2-Dihydroxybisabola-3,10-Diene

PubChem CID: 52951624

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Compound Synonyms 1,2-Dihydroxybisabola-3,10-diene, CHEBI:67819, CHEMBL1775015, Q27136295, 3-methyl-6-(6-methylhept-5-en-2-yl)cyclohex-3-ene-1,2-diol, 6-(1,5-dimethylhex-4-enyl)-3-methyl-cyclohex-3-ene-1,2-diol
Topological Polar Surface Area 40.5
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 17.0
Isotope Atom Count 0.0
Molecular Complexity 300.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 3-methyl-6-(6-methylhept-5-en-2-yl)cyclohex-3-ene-1,2-diol
Prediction Hob 1.0
Xlogp 3.1
Molecular Formula C15H26O2
Prediction Swissadme 1.0
Inchi Key SDAWXTDBEYZMMX-UHFFFAOYSA-N
Fcsp3 0.7333333333333333
Logs -3.018
Rotatable Bond Count 4.0
Logd 3.74
Compound Name 1,2-Dihydroxybisabola-3,10-Diene
Prediction Hob Swissadme 1.0
Exact Mass 238.193
Formal Charge 0.0
Monoisotopic Mass 238.193
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 238.37
Covalent Unit Count 1.0
Total Atom Stereocenter Count 4.0
Total Bond Stereocenter Count 0.0
Esol -3.0195001999999995
Inchi InChI=1S/C15H26O2/c1-10(2)6-5-7-11(3)13-9-8-12(4)14(16)15(13)17/h6,8,11,13-17H,5,7,9H2,1-4H3
Smiles CC1=CCC(C(C1O)O)C(C)CCC=C(C)C
Nring 1.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Callerya Cinerea (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Cotula Cinerea (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Cupania Cinerea (Plant) Rel Props:Source_db:npass_chem_all
  • 4. Outgoing r'ship FOUND_IN to/from Cyanthillium Cinerea (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Dichrostachys Cinerea (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Erica Cinerea (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Eucalyptus Cinerea (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Genista Cinerea (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Juglans Cinerea (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Knema Cinerea (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Roylea Cinerea (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Vatica Cinerea (Plant) Rel Props:Reference:
  • 13. Outgoing r'ship FOUND_IN to/from Vernonia Cinerea (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Viola Cinerea (Plant) Rel Props:Reference:
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