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3',4',5,7-Tetrahydroxy-3,8-dimethoxyflavone

PubChem CID: 5748553

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Compound Synonyms 3',4',5,7-Tetrahydroxy-3,8-dimethoxyflavone, 4988-22-1, Gossypetin 3,8-dimethyl ether, Flavone, 3',4',5,7-tetrahydroxy-3,8-dimethoxy-, CHEMBL162550, 5,7,3',4'-Tetrahydroxy-3,8-dimethoxyflavone, 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3,8-dimethoxy-4H-chromen-4-one, DTXSID60198134, BDBM50412289, LMPK12113237
Topological Polar Surface Area 126.0
Hydrogen Bond Donor Count 4.0
Heavy Atom Count 25.0
Isotope Atom Count 0.0
Molecular Complexity 547.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P07943
Iupac Name 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,8-dimethoxychromen-4-one
Prediction Hob 1.0
Xlogp 2.5
Molecular Formula C17H14O8
Prediction Swissadme 0.0
Inchi Key RRYQDECFPVYHLR-UHFFFAOYSA-N
Fcsp3 0.1176470588235294
Logs -3.873
Rotatable Bond Count 3.0
Logd 2.356
Compound Name 3',4',5,7-Tetrahydroxy-3,8-dimethoxyflavone
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 -3.4470042000000003
Inchi InChI=1S/C17H14O8/c1-23-15-11(21)6-10(20)12-13(22)17(24-2)14(25-16(12)15)7-3-4-8(18)9(19)5-7/h3-6,18-21H,1-2H3
Smiles COC1=C(C=C(C2=C1OC(=C(C2=O)OC)C3=CC(=C(C=C3)O)O)O)O
Nring 3.0
Defined Bond Stereocenter Count 0.0