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3-Hydroxy-5,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one

PubChem CID: 624831

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Compound Synonyms 1098-92-6, Kaempferol 5,7,4'-trimethyl ether, 4',5,7-Trimethoxyflavonol, 3-hydroxy-5,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one, CMLDBU00000252, Flavone, 3-hydroxy-4',5,7-trimethoxy-, CHEMBL2331821, 3-hydroxy-5,7,4'-trimethoxyflavone, 3-Hydroxy-5,7,4 inverted exclamation marka-trimethoxyflavone, 3-Hydroxy-5,7-dimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one, 5,7,4'-Trimethoxykaempferol, SCHEMBL2629300, BG02P01, Kaempferol5,7,4'-trimethylether, SGPXJCVFCJANKN-UHFFFAOYSA-N, BAA09892, HY-N3432, BDBM50439856, 3-Hydroxy-4',5,7-trimethoxyflavone, 4H-1-Benzopyran-4-one, 3-hydroxy-5,7-dimethoxy-2-(4-methoxyphenyl)-, AKOS025287976, CCG-223448, NCGC00355142-02, DA-53218, WS-00825, CS-0024219, E71141, 3-Hydroxy-5,7-dimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one #
Topological Polar Surface Area 74.2
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 24.0
Isotope Atom Count 0.0
Molecular Complexity 494.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id Q04206, Q9UNQ0
Iupac Name 3-hydroxy-5,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
Prediction Hob 1.0
Target Id NPT1422
Xlogp 2.3
Molecular Formula C18H16O6
Prediction Swissadme 0.0
Inchi Key SGPXJCVFCJANKN-UHFFFAOYSA-N
Fcsp3 0.1666666666666666
Logs -4.466
Rotatable Bond Count 4.0
Logd 2.759
Compound Name 3-Hydroxy-5,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
Prediction Hob Swissadme 0.0
Exact Mass 328.095
Formal Charge 0.0
Monoisotopic Mass 328.095
Hydrogen Bond Acceptor Count 6.0
Molecular Weight 328.3
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -3.598017333333333
Inchi InChI=1S/C18H16O6/c1-21-11-6-4-10(5-7-11)18-17(20)16(19)15-13(23-3)8-12(22-2)9-14(15)24-18/h4-9,20H,1-3H3
Smiles COC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C=C3OC)OC)O
Nring 3.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Acalypha Australis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 2. Outgoing r'ship FOUND_IN to/from Aglaia Perviridis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 3. Outgoing r'ship FOUND_IN to/from Andromeda Polifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 4. Outgoing r'ship FOUND_IN to/from Argyrochosma Pilifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 5. Outgoing r'ship FOUND_IN to/from Genista Lydia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 6. Outgoing r'ship FOUND_IN to/from Gymnopetalum Integrifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 7. Outgoing r'ship FOUND_IN to/from Pteris Bella (Plant) Rel Props:Source_db:npass_chem_all
  • 8. Outgoing r'ship FOUND_IN to/from Scapania Bolanderi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 9. Outgoing r'ship FOUND_IN to/from Trichilia Heudelotii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 10. Outgoing r'ship FOUND_IN to/from Vincetoxicum Forrestii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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