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.

(1R,3aR,5S,8aS)-6-(hydroxymethyl)-3a-methyl-1-prop-1-en-2-yl-2,3,4,5,8,8a-hexahydro-1H-azulen-5-ol

PubChem CID: 46211176

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

ℹ️ Click here to know more about the properties
Compound Synonyms CHEMBL1095249
Topological Polar Surface Area 40.5
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 17.0
Isotope Atom Count 0.0
Molecular Complexity 345.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 4.0
Iupac Name (1R,3aR,5S,8aS)-6-(hydroxymethyl)-3a-methyl-1-prop-1-en-2-yl-2,3,4,5,8,8a-hexahydro-1H-azulen-5-ol
Prediction Hob 0.0
Xlogp 3.1
Molecular Formula C15H24O2
Prediction Swissadme 1.0
Inchi Key DFMMGRNYUNRZMT-ZQDZILKHSA-N
Fcsp3 0.7333333333333333
Logs -2.694
Rotatable Bond Count 2.0
Logd 3.226
Compound Name (1R,3aR,5S,8aS)-6-(hydroxymethyl)-3a-methyl-1-prop-1-en-2-yl-2,3,4,5,8,8a-hexahydro-1H-azulen-5-ol
Prediction Hob Swissadme 0.0
Exact Mass 236.178
Formal Charge 0.0
Monoisotopic Mass 236.178
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 236.35
Covalent Unit Count 1.0
Total Atom Stereocenter Count 4.0
Total Bond Stereocenter Count 0.0
Esol -3.145301
Inchi InChI=1S/C15H24O2/c1-10(2)12-6-7-15(3)8-14(17)11(9-16)4-5-13(12)15/h4,12-14,16-17H,1,5-9H2,2-3H3/t12-,13-,14-,15+/m0/s1
Smiles CC(=C)[C@@H]1CC[C@]2([C@H]1CC=C([C@H](C2)O)CO)C
Nring 2.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Caragana Aurantiaca (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Daphne Arisanensis (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Daphne Aurantiaca (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 4. Outgoing r'ship FOUND_IN to/from Daphne Bholua (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Daphne Blagayana (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Daphne Feddei (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Daphne Genkwa (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Daphne Giraldii (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Daphne Gnidium (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Daphne Lancifolia (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Daphne Mezereum (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Daphne Mucronata (Plant) Rel Props:Reference:
  • 13. Outgoing r'ship FOUND_IN to/from Daphne Odora (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Daphne Oleoides (Plant) Rel Props:Reference:
  • 15. Outgoing r'ship FOUND_IN to/from Daphne Papyracea (Plant) Rel Props:Reference:
  • 16. Outgoing r'ship FOUND_IN to/from Daphne Retusa (Plant) Rel Props:Reference:
  • 17. Outgoing r'ship FOUND_IN to/from Daphne Tangutica (Plant) Rel Props:Reference:
  • 18. Outgoing r'ship FOUND_IN to/from Dimorphotheca Aurantiaca (Plant) Rel Props:Reference:
  • 19. Outgoing r'ship FOUND_IN to/from Maclura Aurantiaca (Plant) Rel Props:Reference:
Back to Browse   Back to Home