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3-Hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one

PubChem CID: 54353627

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Compound Synonyms 136196-47-9, 3-Hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one, 3,4'-Dihydroxy-3',5'-dimethoxypropiophenone, 4DQC3X29PJ, beta-Hydroxypropiosyringone, 3,4-Dihydroxy-3-methoxypropiophenone, DTXSID50710768, 3,4/'-Dihydroxy-3/',5/'-diMethoxypropiophenone, 1-(4-Hydroxy-3,5-dimethoxyphenyl)-1-propene-1,3-diol, 1-Propanone, 3-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-, 1-Propene-1,3-diol, 1-(4-hydroxy-3,5-dimethoxyphenyl)-, UNII-4DQC3X29PJ, SCHEMBL670168, CHEMBL1760596, DTXCID60661515, HY-N1774, .BETA.-HYDROXYPROPIOSYRINGONE, AKOS015999051, FS-9371, DB-330875, CS-0017629
Topological Polar Surface Area 76.0
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 16.0
Isotope Atom Count 0.0
Molecular Complexity 216.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 3-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one
Prediction Hob 1.0
Xlogp -0.5
Molecular Formula C11H14O5
Prediction Swissadme 1.0
Inchi Key UHOAHNLBCNGCHE-UHFFFAOYSA-N
Fcsp3 0.3636363636363636
Logs -1.954
Rotatable Bond Count 5.0
Logd 0.884
Compound Name 3-Hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one
Prediction Hob Swissadme 1.0
Exact Mass 226.084
Formal Charge 0.0
Monoisotopic Mass 226.084
Hydrogen Bond Acceptor Count 5.0
Molecular Weight 226.23
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -0.8499135999999997
Inchi InChI=1S/C11H14O5/c1-15-9-5-7(8(13)3-4-12)6-10(16-2)11(9)14/h5-6,12,14H,3-4H2,1-2H3
Smiles COC1=CC(=CC(=C1O)OC)C(=O)CCO
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;npass_chem_all
  • 2. Outgoing r'ship FOUND_IN to/from Aconitum Habaense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 3. Outgoing r'ship FOUND_IN to/from Aconitum Tanguticum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 4. Outgoing r'ship FOUND_IN to/from Aconitum Zuccarini (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 5. Outgoing r'ship FOUND_IN to/from Aphelandra Chamissoniana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 6. Outgoing r'ship FOUND_IN to/from Berberis Koreana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 7. Outgoing r'ship FOUND_IN to/from Bougainvillea Glabra (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 8. Outgoing r'ship FOUND_IN to/from Bryopsis Pennata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 9. Outgoing r'ship FOUND_IN to/from Carduus Crispus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 10. Outgoing r'ship FOUND_IN to/from Chamaecyparis Pisifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 11. Outgoing r'ship FOUND_IN to/from Hymenoxys Microcephala (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 12. Outgoing r'ship FOUND_IN to/from Juniperus Rigida (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 13. Outgoing r'ship FOUND_IN to/from Panax Spinosus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 14. Outgoing r'ship FOUND_IN to/from Polyalthia Stenopetala (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 15. Outgoing r'ship FOUND_IN to/from Pseudotsuga Japonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 16. Outgoing r'ship FOUND_IN to/from Roemeria Refracta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 17. Outgoing r'ship FOUND_IN to/from Santalum Album (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 18. Outgoing r'ship FOUND_IN to/from Saussurea Cordifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 19. Outgoing r'ship FOUND_IN to/from Schefflera Divaricata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 20. Outgoing r'ship FOUND_IN to/from Strophanthus Hispidus (Plant) Rel Props:Source_db:npass_chem_all
  • 21. Outgoing r'ship FOUND_IN to/from Strychnos Henningsii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 22. Outgoing r'ship FOUND_IN to/from Tecoma Heptaphylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 23. Outgoing r'ship FOUND_IN to/from Tithonia Rotundifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 24. Outgoing r'ship FOUND_IN to/from Vernonia Scorpioides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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