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5-Methoxyseselin

PubChem CID: 290897

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Compound Synonyms 5-Methoxyseselin, 31525-76-5, 5-methoxy-8,8-dimethyl-2h,8h-pyrano[2,3-f]chromen-2-one, CHEMBL479894, NSC 155351, 5-methoxy-8,8-dimethylpyrano[2,3-f]chromen-2-one, NSC155351, DTXSID80302933, CHEBI:174378, GBA52576, BDBM50008732, AKOS030556620, NSC-155351, 5-methoxy-8,8-dimethylpyrano[2,3-]chromen-2-one, 5-methoxy-8,8-dimethyl-pyrano[2,3-f]chromen-2-one, 5-Methoxy-8,8-dimethylpyrano[2,3-f]chromen-2(8H)-one
Topological Polar Surface Area 44.8
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 19.0
Description Consit. of Citrus grandis (pummelo). 5-Methoxyseselin is found in citrus.
Isotope Atom Count 0.0
Molecular Complexity 437.0
Database Name cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id Q08499
Iupac Name 5-methoxy-8,8-dimethylpyrano[2,3-f]chromen-2-one
Prediction Hob 1.0
Target Id NPT1464
Xlogp 2.8
Molecular Formula C15H14O4
Prediction Swissadme 1.0
Inchi Key ZNMRQYJUVCXNGK-UHFFFAOYSA-N
Fcsp3 0.2666666666666666
Logs -4.322
Rotatable Bond Count 1.0
Logd 3.187
Synonyms 5-Methoxyseselin
Compound Name 5-Methoxyseselin
Prediction Hob Swissadme 1.0
Exact Mass 258.089
Formal Charge 0.0
Monoisotopic Mass 258.089
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 258.269
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -2.464066284210526
Inchi InChI=1S/C15H14O4/c1-15(2)7-6-10-12(19-15)8-11(17-3)9-4-5-13(16)18-14(9)10/h4-8H,1-3H3
Smiles CC1(C=CC2=C3C(=C(C=C2O1)OC)C=CC(=O)O3)C
Nring 3.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Anagallis Arvensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 2. Outgoing r'ship FOUND_IN to/from Citrus Grandis (Plant) Rel Props:Source_db:npass_chem_all
  • 3. Outgoing r'ship FOUND_IN to/from Citrus Hassaku (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 4. Outgoing r'ship FOUND_IN to/from Citrus Tamurana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 5. Outgoing r'ship FOUND_IN to/from Clematis Flammula (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 6. Outgoing r'ship FOUND_IN to/from Gentiana Lactea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 7. Outgoing r'ship FOUND_IN to/from Hortia Arborea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 8. Outgoing r'ship FOUND_IN to/from Murraya Alata (Plant) Rel Props:Source_db:cmaup_ingredients
  • 9. Outgoing r'ship FOUND_IN to/from Plumbago Zeylanica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 10. Outgoing r'ship FOUND_IN to/from Toddalia Asiatica (Plant) Rel Props:Source_db:npass_chem_all
  • 11. Outgoing r'ship FOUND_IN to/from Uncaria Perrottetii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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