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(2R)-2,3-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one

PubChem CID: 86311182

Connections displayed (default: 10).
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Topological Polar Surface Area 96.2
Hydrogen Bond Donor Count 3.0
Heavy Atom Count 17.0
Isotope Atom Count 0.0
Molecular Complexity 242.0
Database Name cmaup_ingredients;pubchem
Defined Atom Stereocenter Count 1.0
Iupac Name (2R)-2,3-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one
Prediction Hob 1.0
Xlogp -0.1
Molecular Formula C11H14O6
Prediction Swissadme 1.0
Inchi Key QJWLBLCJYZLCLM-SSDOTTSWSA-N
Fcsp3 0.3636363636363636
Logs -1.622
Rotatable Bond Count 5.0
Logd 0.3
Compound Name (2R)-2,3-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one
Prediction Hob Swissadme 1.0
Exact Mass 242.079
Formal Charge 0.0
Monoisotopic Mass 242.079
Hydrogen Bond Acceptor Count 6.0
Molecular Weight 242.22
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 0.0
Esol -1.2036838705882351
Inchi InChI=1S/C11H14O6/c1-16-8-3-6(10(14)7(13)5-12)4-9(17-2)11(8)15/h3-4,7,12-13,15H,5H2,1-2H3/t7-/m1/s1
Smiles COC1=CC(=CC(=C1O)OC)C(=O)[C@@H](CO)O
Nring 1.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Acanthophyllum Sordidum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 2. Outgoing r'ship FOUND_IN to/from Aconitum Habaense (Plant) Rel Props:Source_db:cmaup_ingredients
  • 3. Outgoing r'ship FOUND_IN to/from Aconitum Tanguticum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 4. Outgoing r'ship FOUND_IN to/from Aconitum Zuccarini (Plant) Rel Props:Source_db:cmaup_ingredients
  • 5. Outgoing r'ship FOUND_IN to/from Aphelandra Chamissoniana (Plant) Rel Props:Source_db:cmaup_ingredients
  • 6. Outgoing r'ship FOUND_IN to/from Bougainvillea Glabra (Plant) Rel Props:Source_db:cmaup_ingredients
  • 7. Outgoing r'ship FOUND_IN to/from Bryopsis Pennata (Plant) Rel Props:Source_db:cmaup_ingredients
  • 8. Outgoing r'ship FOUND_IN to/from Chamaecyparis Pisifera (Plant) Rel Props:Source_db:cmaup_ingredients
  • 9. Outgoing r'ship FOUND_IN to/from Hymenoxys Microcephala (Plant) Rel Props:Source_db:cmaup_ingredients
  • 10. Outgoing r'ship FOUND_IN to/from Juniperus Rigida (Plant) Rel Props:Source_db:cmaup_ingredients
  • 11. Outgoing r'ship FOUND_IN to/from Panax Spinosus (Plant) Rel Props:Source_db:cmaup_ingredients
  • 12. Outgoing r'ship FOUND_IN to/from Polyalthia Stenopetala (Plant) Rel Props:Source_db:cmaup_ingredients
  • 13. Outgoing r'ship FOUND_IN to/from Pseudotsuga Japonica (Plant) Rel Props:Source_db:cmaup_ingredients
  • 14. Outgoing r'ship FOUND_IN to/from Roemeria Refracta (Plant) Rel Props:Source_db:cmaup_ingredients
  • 15. Outgoing r'ship FOUND_IN to/from Saussurea Cordifolia (Plant) Rel Props:Source_db:cmaup_ingredients
  • 16. Outgoing r'ship FOUND_IN to/from Schefflera Divaricata (Plant) Rel Props:Source_db:cmaup_ingredients
  • 17. Outgoing r'ship FOUND_IN to/from Strophanthus Hispidus (Plant) Rel Props:Source_db:cmaup_ingredients
  • 18. Outgoing r'ship FOUND_IN to/from Tecoma Heptaphylla (Plant) Rel Props:Source_db:cmaup_ingredients
  • 19. Outgoing r'ship FOUND_IN to/from Tithonia Rotundifolia (Plant) Rel Props:Source_db:cmaup_ingredients
  • 20. Outgoing r'ship FOUND_IN to/from Vernonia Scorpioides (Plant) Rel Props:Source_db:cmaup_ingredients
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