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Ganhuangenin

PubChem CID: 5271991

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Compound Synonyms Ganhuangenin, Viscidulin III, 92519-91-0, 2-(3,6-dihydroxy-2-methoxyphenyl)-5,7-dihydroxy-8-methoxychromen-4-one, 2',5,5',7-Tetrahydroxy-6',8-dimethoxyflavone, CHEMBL465771, DTXSID60239031, 5,7,3',6'-Tetrahydroxy-8,2'-dimethoxyflavone, 4H-1-Benzopyran-4-one, 2-(3,6-dihydroxy-2-methoxyphenyl)-5,7-dihydroxy-8-methoxy-, ViscidulinIII, 2-(3,6-dihydroxy-2-methoxyphenyl)-5,7-dihydroxy-8-methoxy-4H-chromen-4-one, Sb 1, SCHEMBL5311261, DTXCID80161522, BDBM50478453, LMPK12111314, AKOS032948541, FS-9159, DA-78901, 5,7,2',5'-Tetrahydroxy-8,6'-dimethoxy flavone, B0005-155874, 2-(3,6-dihydroxy-2-methoxy-phenyl)-5,7-dihydroxy-8-methoxy-chromen-4-one
Topological Polar Surface Area 126.0
Hydrogen Bond Donor Count 4.0
Heavy Atom Count 25.0
Isotope Atom Count 0.0
Molecular Complexity 535.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P35030
Iupac Name 2-(3,6-dihydroxy-2-methoxyphenyl)-5,7-dihydroxy-8-methoxychromen-4-one
Prediction Hob 0.0
Xlogp 2.3
Molecular Formula C17H14O8
Prediction Swissadme 0.0
Inchi Key CPFJPTACQDZPLS-UHFFFAOYSA-N
Fcsp3 0.1176470588235294
Logs -3.954
Rotatable Bond Count 3.0
Logd 2.25
Compound Name Ganhuangenin
Prediction Hob Swissadme 0.0
Exact Mass 346.069
Formal Charge 0.0
Monoisotopic Mass 346.069
Hydrogen Bond Acceptor Count 8.0
Molecular Weight 346.3
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -3.1824041999999997
Inchi InChI=1S/C17H14O8/c1-23-15-8(19)4-3-7(18)14(15)12-6-10(21)13-9(20)5-11(22)16(24-2)17(13)25-12/h3-6,18-20,22H,1-2H3
Smiles COC1=C(C=CC(=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)OC)O)O
Nring 3.0
Defined Bond Stereocenter Count 0.0