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(3S)-3-[(2,4-dimethoxyphenyl)methyl]-7-hydroxy-2,3-dihydrochromen-4-one

PubChem CID: 162899831

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Topological Polar Surface Area 65.0
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 23.0
Isotope Atom Count 0.0
Molecular Complexity 412.0
Database Name cmaup_ingredients;pubchem
Defined Atom Stereocenter Count 1.0
Iupac Name (3S)-3-[(2,4-dimethoxyphenyl)methyl]-7-hydroxy-2,3-dihydrochromen-4-one
Prediction Hob 1.0
Xlogp 3.0
Molecular Formula C18H18O5
Prediction Swissadme 1.0
Inchi Key UUHSEVHLZHLTLE-LBPRGKRZSA-N
Fcsp3 0.2777777777777778
Logs -4.285
Rotatable Bond Count 4.0
Logd 3.185
Compound Name (3S)-3-[(2,4-dimethoxyphenyl)methyl]-7-hydroxy-2,3-dihydrochromen-4-one
Prediction Hob Swissadme 1.0
Exact Mass 314.115
Formal Charge 0.0
Monoisotopic Mass 314.115
Hydrogen Bond Acceptor Count 5.0
Molecular Weight 314.3
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 0.0
Esol -3.7694763565217397
Inchi InChI=1S/C18H18O5/c1-21-14-5-3-11(16(9-14)22-2)7-12-10-23-17-8-13(19)4-6-15(17)18(12)20/h3-6,8-9,12,19H,7,10H2,1-2H3/t12-/m0/s1
Smiles COC1=CC(=C(C=C1)C[C@H]2COC3=C(C2=O)C=CC(=C3)O)OC
Nring 3.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Aeschynanthus Parvifolius (Plant) Rel Props:Source_db:cmaup_ingredients
  • 2. Outgoing r'ship FOUND_IN to/from Betula Papyrifera (Plant) Rel Props:Source_db:cmaup_ingredients
  • 3. Outgoing r'ship FOUND_IN to/from Bignonia Unguiscati (Plant) Rel Props:Source_db:cmaup_ingredients
  • 4. Outgoing r'ship FOUND_IN to/from Cinnamomum Philippinense (Plant) Rel Props:Source_db:cmaup_ingredients
  • 5. Outgoing r'ship FOUND_IN to/from Coronilla Hyrcana (Plant) Rel Props:Source_db:cmaup_ingredients
  • 6. Outgoing r'ship FOUND_IN to/from Cyperus Capitatus (Plant) Rel Props:Source_db:cmaup_ingredients
  • 7. Outgoing r'ship FOUND_IN to/from Delphinium Tricorne (Plant) Rel Props:Source_db:cmaup_ingredients
  • 8. Outgoing r'ship FOUND_IN to/from Ephedra Altissima (Plant) Rel Props:Source_db:cmaup_ingredients
  • 9. Outgoing r'ship FOUND_IN to/from Eria Siamensis (Plant) Rel Props:Source_db:cmaup_ingredients
  • 10. Outgoing r'ship FOUND_IN to/from Erica Cinerea (Plant) Rel Props:Source_db:cmaup_ingredients
  • 11. Outgoing r'ship FOUND_IN to/from Haemanthus Albiflos (Plant) Rel Props:Source_db:cmaup_ingredients
  • 12. Outgoing r'ship FOUND_IN to/from Helleborus Viridis (Plant) Rel Props:Source_db:cmaup_ingredients
  • 13. Outgoing r'ship FOUND_IN to/from Hordeum Bulbosum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 14. Outgoing r'ship FOUND_IN to/from Iris Sibirica (Plant) Rel Props:Source_db:cmaup_ingredients
  • 15. Outgoing r'ship FOUND_IN to/from Isolona Pilosa (Plant) Rel Props:Source_db:cmaup_ingredients
  • 16. Outgoing r'ship FOUND_IN to/from Jatropha Gossypiifolia (Plant) Rel Props:Source_db:cmaup_ingredients
  • 17. Outgoing r'ship FOUND_IN to/from Litsea Nitida (Plant) Rel Props:Source_db:cmaup_ingredients
  • 18. Outgoing r'ship FOUND_IN to/from Lobelia Langeana (Plant) Rel Props:Source_db:cmaup_ingredients
  • 19. Outgoing r'ship FOUND_IN to/from Magnolia Henryi (Plant) Rel Props:Source_db:cmaup_ingredients
  • 20. Outgoing r'ship FOUND_IN to/from Maytenus Emarginata (Plant) Rel Props:Source_db:cmaup_ingredients
  • 21. Outgoing r'ship FOUND_IN to/from Micromelum Falcatum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 22. Outgoing r'ship FOUND_IN to/from Peltophorum Dubium (Plant) Rel Props:Source_db:cmaup_ingredients
  • 23. Outgoing r'ship FOUND_IN to/from Prunus Pseudocerasus (Plant) Rel Props:Source_db:cmaup_ingredients
  • 24. Outgoing r'ship FOUND_IN to/from Salvia Miniata (Plant) Rel Props:Source_db:cmaup_ingredients
  • 25. Outgoing r'ship FOUND_IN to/from Sibiraea Angustata (Plant) Rel Props:Source_db:cmaup_ingredients
  • 26. Outgoing r'ship FOUND_IN to/from Tamarix Dioica (Plant) Rel Props:Source_db:cmaup_ingredients
  • 27. Outgoing r'ship FOUND_IN to/from Tripterygium Wilfordii (Plant) Rel Props:Source_db:cmaup_ingredients
  • 28. Outgoing r'ship FOUND_IN to/from Valeriana Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients
  • 29. Outgoing r'ship FOUND_IN to/from Vernonia Aurea (Plant) Rel Props:Source_db:cmaup_ingredients
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