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(R)-Pterosin B

PubChem CID: 5320780

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Compound Synonyms rac Pterosin B, 60657-37-6, (R)-Pterosin B, 6-(2-hydroxyethyl)-2,5,7-trimethyl-2,3-dihydroinden-1-one, 6-(2-hydroxyethyl)-2,5,7-trimethyl-2,3-dihydro-1H-inden-1-one, (+/-)-Pterosin B, CHEMBL3527498, SCHEMBL16469274, CHEBI:191612, GLXC-02987, Multifidoside B, (2R)-Pterosin B, BCP09994, 6-(2-Hydroxyethyl)-2,5,7-trimethyl-(-)-1-Indanone
Topological Polar Surface Area 37.3
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 16.0
Isotope Atom Count 0.0
Molecular Complexity 274.0
Database Name cmaup_ingredients;hmdb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 6-(2-hydroxyethyl)-2,5,7-trimethyl-2,3-dihydroinden-1-one
Prediction Hob 1.0
Class Indanes
Xlogp 2.5
Superclass Benzenoids
Subclass Indanones
Molecular Formula C14H18O2
Prediction Swissadme 1.0
Inchi Key SJNCSXMTBXDZQA-UHFFFAOYSA-N
Fcsp3 0.5
Logs -4.047
Rotatable Bond Count 2.0
State Solid
Logd 2.208
Synonyms (2R)-Pterosin b, 6-(2-Hydroxyethyl)-2,5,7-trimethyl-(-)-1-indanone, Pterosin b
Compound Name (R)-Pterosin B
Kingdom Organic compounds
Prediction Hob Swissadme 1.0
Exact Mass 218.131
Formal Charge 0.0
Monoisotopic Mass 218.131
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 218.29
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aromatic homopolycyclic compounds
Esol -2.9391351999999995
Inchi InChI=1S/C14H18O2/c1-8-6-11-7-9(2)14(16)13(11)10(3)12(8)4-5-15/h6,9,15H,4-5,7H2,1-3H3
Smiles CC1CC2=C(C1=O)C(=C(C(=C2)C)CCO)C
Nring 2.0
Defined Bond Stereocenter Count 0.0
Taxonomy Direct Parent Indanones

  • 1. Outgoing r'ship FOUND_IN to/from Jatropha Multifida (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Nepeta Multifida (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Potentilla Multifida (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Pteridium Aquilinum (Plant) Rel Props:Source_db:npass_chem_all
  • 5. Outgoing r'ship FOUND_IN to/from Pteridium Esculentum (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Pteris Altissima (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Pteris Aquilina (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Pteris Australis (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Pteris Bella (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Pteris Biaurita (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Pteris Cretica (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Pteris Dactylina (Plant) Rel Props:Reference:
  • 13. Outgoing r'ship FOUND_IN to/from Pteris Ensiformis (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Pteris Fauriei (Plant) Rel Props:Reference:
  • 15. Outgoing r'ship FOUND_IN to/from Pteris Glauca (Plant) Rel Props:Reference:
  • 16. Outgoing r'ship FOUND_IN to/from Pteris Inaequalis (Plant) Rel Props:Reference:
  • 17. Outgoing r'ship FOUND_IN to/from Pteris Japonica (Plant) Rel Props:Reference:
  • 18. Outgoing r'ship FOUND_IN to/from Pteris Kiuschiuensis (Plant) Rel Props:Reference:
  • 19. Outgoing r'ship FOUND_IN to/from Pteris Linearis (Plant) Rel Props:Reference:
  • 20. Outgoing r'ship FOUND_IN to/from Pteris Longipes (Plant) Rel Props:Reference:
  • 21. Outgoing r'ship FOUND_IN to/from Pteris Multifida (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 22. Outgoing r'ship FOUND_IN to/from Pteris Pacifica (Plant) Rel Props:Reference:
  • 23. Outgoing r'ship FOUND_IN to/from Pteris Pedata (Plant) Rel Props:Reference:
  • 24. Outgoing r'ship FOUND_IN to/from Pteris Plumbea (Plant) Rel Props:Reference:
  • 25. Outgoing r'ship FOUND_IN to/from Pteris Prolifera (Plant) Rel Props:Reference:
  • 26. Outgoing r'ship FOUND_IN to/from Pteris Radiata (Plant) Rel Props:Reference:
  • 27. Outgoing r'ship FOUND_IN to/from Pteris Semipinnata (Plant) Rel Props:Reference:
  • 28. Outgoing r'ship FOUND_IN to/from Pteris Spinulosa (Plant) Rel Props:Reference:
  • 29. Outgoing r'ship FOUND_IN to/from Pteris Vitata (Plant) Rel Props:Reference:
  • 30. Outgoing r'ship FOUND_IN to/from Pteris Vittata (Plant) Rel Props:Reference:
  • 31. Outgoing r'ship FOUND_IN to/from Pteris Wallichiana (Plant) Rel Props:Reference:
  • 32. Outgoing r'ship FOUND_IN to/from Schizonepeta Multifida (Plant) Rel Props:Reference:
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