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4H-1-Benzopyran-4-one, 2,3-dihydro-3,7-dihydroxy-5-methoxy-2-phenyl-, (2R,3R)-

PubChem CID: 147459

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Compound Synonyms Pinobanksin 5-methyl ether, 119309-36-3, 4H-1-Benzopyran-4-one, 2,3-dihydro-3,7-dihydroxy-5-methoxy-2-phenyl-, (2R,3R)-, 87620-04-0, (2R,3R)-3,7-dihydroxy-5-methoxy-2-phenyl-2,3-dihydrochromen-4-one, (2R,3R)-3,7-Dihydroxy-5-methoxy-2-phenylchroman-4-one, Pinobanksin-5-methylether, CHEMBL1096213, DTXSID40922934, (2R,3R)-3,7-dihydroxy-5-methoxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one, HY-N9203, AKOS030552798, DA-76896, CS-0158964, F94019, 3,7-Dihydroxy-5-methoxy-2-phenyl-2,3-dihydro-4H-1-benzopyran-4-one
Prediction Swissadme 0.0
Topological Polar Surface Area 76.0
Hydrogen Bond Donor Count 2.0
Inchi Key NIMIDMFTGGTHOH-JKSUJKDBSA-N
Fcsp3 0.1875
Rotatable Bond Count 2.0
Heavy Atom Count 21.0
Compound Name 4H-1-Benzopyran-4-one, 2,3-dihydro-3,7-dihydroxy-5-methoxy-2-phenyl-, (2R,3R)-
Prediction Hob Swissadme 0.0
Exact Mass 286.084
Formal Charge 0.0
Monoisotopic Mass 286.084
Isotope Atom Count 0.0
Molecular Complexity 379.0
Hydrogen Bond Acceptor Count 5.0
Molecular Weight 286.28
Database Name cmaup_ingredients;pubchem
Covalent Unit Count 1.0
Defined Atom Stereocenter Count 2.0
Iupac Name (2R,3R)-3,7-dihydroxy-5-methoxy-2-phenyl-2,3-dihydrochromen-4-one
Total Atom Stereocenter Count 2.0
Total Bond Stereocenter Count 0.0
Prediction Hob 1.0
Esol -2.8130117428571424
Inchi InChI=1S/C16H14O5/c1-20-11-7-10(17)8-12-13(11)14(18)15(19)16(21-12)9-5-3-2-4-6-9/h2-8,15-17,19H,1H3/t15-,16+/m0/s1
Smiles COC1=CC(=CC2=C1C(=O)[C@@H]([C@H](O2)C3=CC=CC=C3)O)O
Xlogp 2.0
Defined Bond Stereocenter Count 0.0
Molecular Formula C16H14O5

  • 1. Outgoing r'ship FOUND_IN to/from Anodendron Affine (Plant) Rel Props:Source_db:cmaup_ingredients
  • 2. Outgoing r'ship FOUND_IN to/from Cedrela Salvadorensis (Plant) Rel Props:Source_db:cmaup_ingredients
  • 3. Outgoing r'ship FOUND_IN to/from Garcinia Cambogia (Plant) Rel Props:Source_db:cmaup_ingredients
  • 4. Outgoing r'ship FOUND_IN to/from Hertia Cheirifolia (Plant) Rel Props:Source_db:cmaup_ingredients
  • 5. Outgoing r'ship FOUND_IN to/from Licaria Chrysophylla (Plant) Rel Props:Source_db:cmaup_ingredients
  • 6. Outgoing r'ship FOUND_IN to/from Ormosia Hosiei (Plant) Rel Props:Source_db:cmaup_ingredients
  • 7. Outgoing r'ship FOUND_IN to/from Ornithoglossum Viride (Plant) Rel Props:Source_db:cmaup_ingredients
  • 8. Outgoing r'ship FOUND_IN to/from Petasites Laevigatus (Plant) Rel Props:Source_db:cmaup_ingredients
  • 9. Outgoing r'ship FOUND_IN to/from Rubia Tetragona (Plant) Rel Props:Source_db:cmaup_ingredients
  • 10. Outgoing r'ship FOUND_IN to/from Schizanthus Tricolor (Plant) Rel Props:Source_db:cmaup_ingredients
  • 11. Outgoing r'ship FOUND_IN to/from Sphaeranthus Confertifolius (Plant) Rel Props:Source_db:cmaup_ingredients
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