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5-Methoxyevofolin B

PubChem CID: 24898040

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Compound Synonyms 5-METHOXYEVOFOLIN B, CHEMBL486902, 3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)propan-1-one
Topological Polar Surface Area 105.0
Hydrogen Bond Donor Count 3.0
Heavy Atom Count 25.0
Isotope Atom Count 0.0
Molecular Complexity 416.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)propan-1-one
Prediction Hob 1.0
Xlogp 1.8
Molecular Formula C18H20O7
Prediction Swissadme 1.0
Inchi Key CZKPUZKGTUPACP-UHFFFAOYSA-N
Fcsp3 0.2777777777777778
Logs -3.93
Rotatable Bond Count 7.0
Logd 1.565
Compound Name 5-Methoxyevofolin B
Prediction Hob Swissadme 1.0
Exact Mass 348.121
Formal Charge 0.0
Monoisotopic Mass 348.121
Hydrogen Bond Acceptor Count 7.0
Molecular Weight 348.3
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 0.0
Esol -2.9954762
Inchi InChI=1S/C18H20O7/c1-23-14-6-10(4-5-13(14)20)17(21)12(9-19)11-7-15(24-2)18(22)16(8-11)25-3/h4-8,12,19-20,22H,9H2,1-3H3
Smiles COC1=CC(=CC(=C1O)OC)C(CO)C(=O)C2=CC(=C(C=C2)O)OC
Nring 2.0
Defined Bond Stereocenter Count 0.0