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(3aR,6R,7aS)-3,4,5,6,7,7a-hexahydro-2H-1-benzofuran-3a,6-diol

PubChem CID: 11744892

Connections displayed (default: 10).
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Compound Synonyms 165197-71-7, starbld0000798, DTXSID701247620, 189264-46-8, (3aR,6R,7aS)-Hexahydro-3a,6(4H)-benzofurandiol
Topological Polar Surface Area 49.7
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 11.0
Isotope Atom Count 0.0
Molecular Complexity 159.0
Database Name cmaup_ingredients;pubchem
Defined Atom Stereocenter Count 3.0
Iupac Name (3aR,6R,7aS)-3,4,5,6,7,7a-hexahydro-2H-1-benzofuran-3a,6-diol
Prediction Hob 1.0
Xlogp -0.3
Molecular Formula C8H14O3
Prediction Swissadme 0.0
Inchi Key BMCMOTVWVYIGFM-GJMOJQLCSA-N
Fcsp3 1.0
Logs -1.121
Rotatable Bond Count 0.0
Logd -0.362
Compound Name (3aR,6R,7aS)-3,4,5,6,7,7a-hexahydro-2H-1-benzofuran-3a,6-diol
Prediction Hob Swissadme 0.0
Exact Mass 158.094
Formal Charge 0.0
Monoisotopic Mass 158.094
Hydrogen Bond Acceptor Count 3.0
Molecular Weight 158.19
Covalent Unit Count 1.0
Total Atom Stereocenter Count 3.0
Total Bond Stereocenter Count 0.0
Esol -0.6318214
Inchi InChI=1S/C8H14O3/c9-6-1-2-8(10)3-4-11-7(8)5-6/h6-7,9-10H,1-5H2/t6-,7+,8-/m1/s1
Smiles C1C[C@]2(CCO[C@H]2C[C@@H]1O)O
Nring 2.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Achillea Serbica (Plant) Rel Props:Source_db:cmaup_ingredients
  • 2. Outgoing r'ship FOUND_IN to/from Alluaudia Ascendens (Plant) Rel Props:Source_db:cmaup_ingredients
  • 3. Outgoing r'ship FOUND_IN to/from Barleria Acanthoides (Plant) Rel Props:Source_db:cmaup_ingredients
  • 4. Outgoing r'ship FOUND_IN to/from Centaurea Collina (Plant) Rel Props:Source_db:cmaup_ingredients
  • 5. Outgoing r'ship FOUND_IN to/from Cordia Elaeagnoides (Plant) Rel Props:Source_db:cmaup_ingredients
  • 6. Outgoing r'ship FOUND_IN to/from Echinocereus Blanckii (Plant) Rel Props:Source_db:cmaup_ingredients
  • 7. Outgoing r'ship FOUND_IN to/from Euodia Lunu-Ankenda (Plant) Rel Props:Source_db:cmaup_ingredients
  • 8. Outgoing r'ship FOUND_IN to/from Euonymus Nanus (Plant) Rel Props:Source_db:cmaup_ingredients
  • 9. Outgoing r'ship FOUND_IN to/from Hexalobus Crispiflorus (Plant) Rel Props:Source_db:cmaup_ingredients
  • 10. Outgoing r'ship FOUND_IN to/from Isodon Leucophyllus (Plant) Rel Props:Source_db:cmaup_ingredients
  • 11. Outgoing r'ship FOUND_IN to/from Marrubium Globosum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 12. Outgoing r'ship FOUND_IN to/from Millingtonia Hortensis (Plant) Rel Props:Source_db:cmaup_ingredients
  • 13. Outgoing r'ship FOUND_IN to/from Physostigma Venenosum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 14. Outgoing r'ship FOUND_IN to/from Ptelea Viscosa (Plant) Rel Props:Source_db:cmaup_ingredients
  • 15. Outgoing r'ship FOUND_IN to/from Pyrus Pyrifolia (Plant) Rel Props:Source_db:cmaup_ingredients
  • 16. Outgoing r'ship FOUND_IN to/from Rabdosia Weisiensis (Plant) Rel Props:Source_db:cmaup_ingredients
  • 17. Outgoing r'ship FOUND_IN to/from Sinapis Nigra (Plant) Rel Props:Source_db:cmaup_ingredients
  • 18. Outgoing r'ship FOUND_IN to/from Tsuga Heterophylla (Plant) Rel Props:Source_db:cmaup_ingredients
  • 19. Outgoing r'ship FOUND_IN to/from Uncaria Sessilifructus (Plant) Rel Props:Source_db:cmaup_ingredients
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