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(3R,3aS,8aS)-8a-methyl-8-oxo-3-propan-2-yl-1,2,3,3a,6,7-hexahydroazulene-5-carbaldehyde

PubChem CID: 14446658

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Compound Synonyms CHEMBL2331813
Topological Polar Surface Area 34.1
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 17.0
Isotope Atom Count 0.0
Molecular Complexity 367.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 3.0
Uniprot Id Q04206
Iupac Name (3R,3aS,8aS)-8a-methyl-8-oxo-3-propan-2-yl-1,2,3,3a,6,7-hexahydroazulene-5-carbaldehyde
Prediction Hob 1.0
Xlogp 2.7
Molecular Formula C15H22O2
Prediction Swissadme 1.0
Inchi Key VYPYFZUEGQREKP-NFAWXSAZSA-N
Fcsp3 0.7333333333333333
Logs -2.896
Rotatable Bond Count 2.0
Logd 3.006
Compound Name (3R,3aS,8aS)-8a-methyl-8-oxo-3-propan-2-yl-1,2,3,3a,6,7-hexahydroazulene-5-carbaldehyde
Prediction Hob Swissadme 1.0
Exact Mass 234.162
Formal Charge 0.0
Monoisotopic Mass 234.162
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 234.33
Covalent Unit Count 1.0
Total Atom Stereocenter Count 3.0
Total Bond Stereocenter Count 0.0
Esol -2.8556017999999996
Inchi InChI=1S/C15H22O2/c1-10(2)12-6-7-15(3)13(12)8-11(9-16)4-5-14(15)17/h8-10,12-13H,4-7H2,1-3H3/t12-,13-,15+/m1/s1
Smiles CC(C)[C@H]1CC[C@]2([C@@H]1C=C(CCC2=O)C=O)C
Nring 2.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Aglaia Argentea (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Aglaia Australiensis (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Aglaia Cordata (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Aglaia Dasyclada (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Aglaia Edulis (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Aglaia Elaeagnoidea (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Aglaia Elliptica (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Aglaia Elliptifolia (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Aglaia Forbesii (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Aglaia Formosana (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Aglaia Foveolata (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Aglaia Gigantea (Plant) Rel Props:Reference:
  • 13. Outgoing r'ship FOUND_IN to/from Aglaia Grandis (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Aglaia Hiernii (Plant) Rel Props:Reference:
  • 15. Outgoing r'ship FOUND_IN to/from Aglaia Lawii (Plant) Rel Props:Reference:
  • 16. Outgoing r'ship FOUND_IN to/from Aglaia Laxiflora (Plant) Rel Props:Reference:
  • 17. Outgoing r'ship FOUND_IN to/from Aglaia Leucophylla (Plant) Rel Props:Reference:
  • 18. Outgoing r'ship FOUND_IN to/from Aglaia Meridionalis (Plant) Rel Props:Reference:
  • 19. Outgoing r'ship FOUND_IN to/from Aglaia Odorata (Plant) Rel Props:Reference:
  • 20. Outgoing r'ship FOUND_IN to/from Aglaia Odoratissima (Plant) Rel Props:Reference:
  • 21. Outgoing r'ship FOUND_IN to/from Aglaia Perviridis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 22. Outgoing r'ship FOUND_IN to/from Aglaia Pirifera (Plant) Rel Props:Reference:
  • 23. Outgoing r'ship FOUND_IN to/from Aglaia Pyramidata (Plant) Rel Props:Reference:
  • 24. Outgoing r'ship FOUND_IN to/from Aglaia Roxburghiana (Plant) Rel Props:Reference:
  • 25. Outgoing r'ship FOUND_IN to/from Aglaia Rubiginosa (Plant) Rel Props:Reference:
  • 26. Outgoing r'ship FOUND_IN to/from Aglaia Spectabilis (Plant) Rel Props:Reference:
  • 27. Outgoing r'ship FOUND_IN to/from Aglaia Tomentosa (Plant) Rel Props:Reference:
  • 28. Outgoing r'ship FOUND_IN to/from Aglaia Tsangii (Plant) Rel Props:Reference:
  • 29. Outgoing r'ship FOUND_IN to/from Aglaia Urghiana (Plant) Rel Props:Reference:
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