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5,7-Dihydroxy-2-propylchromone

PubChem CID: 5480902

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Compound Synonyms 5,7-dihydroxy-2-propylchromone, CHEMBL485814, 5,7-dihydroxy-2-propyl-chromen-4-one, 5,7-Dihydroxy-2-propyl-4H-chromen-4-one
Topological Polar Surface Area 66.8
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 16.0
Isotope Atom Count 0.0
Molecular Complexity 310.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 5,7-dihydroxy-2-propylchromen-4-one
Prediction Hob 1.0
Xlogp 1.6
Molecular Formula C12H12O4
Prediction Swissadme 0.0
Inchi Key VNMQMINAFBHHBP-UHFFFAOYSA-N
Fcsp3 0.25
Logs -2.997
Rotatable Bond Count 2.0
Logd 2.451
Compound Name 5,7-Dihydroxy-2-propylchromone
Prediction Hob Swissadme 0.0
Exact Mass 220.074
Formal Charge 0.0
Monoisotopic Mass 220.074
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 220.22
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -2.6446887999999995
Inchi InChI=1S/C12H12O4/c1-2-3-8-6-10(15)12-9(14)4-7(13)5-11(12)16-8/h4-6,13-14H,2-3H2,1H3
Smiles CCCC1=CC(=O)C2=C(C=C(C=C2O1)O)O
Nring 2.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Agrimonia Eupatoria (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Agrimonia Japonica (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Agrimonia Pilosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 4. Outgoing r'ship FOUND_IN to/from Bidens Pilosa (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Calea Pilosa (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Curculigo Pilosa (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Elsholtzia Pilosa (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Euphorbia Pilosa (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Isolona Pilosa (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Oleandra Pilosa (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Portulaca Pilosa (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Vepris Pilosa (Plant) Rel Props:Reference:
  • 13. Outgoing r'ship FOUND_IN to/from Vigna Pilosa (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Viola Pilosa (Plant) Rel Props:Reference:
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