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3,7-Dihydroxyflavone

PubChem CID: 5393152

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Compound Synonyms 3,7-dihydroxyflavone, 492-00-2, 7-Hydroxyflavonol, 7,3-dihydroxyflavone, 3,7-dihydroxy-2-phenyl-4H-chromen-4-one, 5-Deoxygalangin, 3,7-dihydroxy-2-phenylchromen-4-one, 4H-1-Benzopyran-4-one, 3,7-dihydroxy-2-phenyl-, Resogalangin, CHEMBL210276, O948D0K9BQ, 3,7-Dihydroxy-2-phenyl-4H-1-benzopyran-4-one, 3,7-dihydroxy-flavone, 7,3'-dihydroxyflavonol, SR-01000314616, SPBio_001803, 7-Hydroxyflavanol, 3,7-dihydroxy-2-phenyl-chromen-4-one, Spectrum_001462, SpecPlus_000778, Spectrum2_001652, Spectrum3_001623, Spectrum4_001767, Spectrum5_000353, UNII-O948D0K9BQ, Oprea1_793720, BSPBio_003285, KBioGR_002253, KBioSS_001942, DivK1c_006874, SPECTRUM1504130, SCHEMBL2396684, 7,3/'-DIHYDROXYFLAVONE, BDBM26660, KBio1_001818, KBio2_001942, KBio2_004510, KBio2_007078, KBio3_002505, DTXSID80197705, CHEBI:109535, UWQJWDYDYIJWKY-UHFFFAOYSA-N, CCG-38768, LMPK12111545, MFCD00016790, AKOS000600301, 3,7-Dihydroxyflavone, 5-Deoxygalangin, FD66161, SDCCGMLS-0066816.P001, NCGC00095686-01, NCGC00095686-02, NCGC00178162-01, PD001272, DB-022136, DB-350680, NS00116344, A827674, SR-01000314616-1, SR-01000314616-2, BRD-K35133923-001-02-3, BRD-K35133923-001-03-1, Q27188682, HHF
Topological Polar Surface Area 66.8
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 19.0
Isotope Atom Count 0.0
Molecular Complexity 395.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id Q965D5, P18054, P16050, O15296, P11309, P48147, P27487, n.a., Q99714, B2RXH2, P55210, P10636, P02791, Q03164, P29466, P08684, Q92830, O94782, Q9NUW8, Q9Y6L6, Q9NPD5, P08183
Iupac Name 3,7-dihydroxy-2-phenylchromen-4-one
Prediction Hob 1.0
Target Id NPT149, NPT48, NPT1226, NPT51, NPT792, NPT277, NPT109
Xlogp 3.0
Molecular Formula C15H10O4
Prediction Swissadme 0.0
Inchi Key UWQJWDYDYIJWKY-UHFFFAOYSA-N
Fcsp3 0.0
Logs -3.576
Rotatable Bond Count 1.0
Logd 2.532
Compound Name 3,7-Dihydroxyflavone
Prediction Hob Swissadme 0.0
Exact Mass 254.058
Formal Charge 0.0
Monoisotopic Mass 254.058
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 254.24
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -3.2964520947368423
Inchi InChI=1S/C15H10O4/c16-10-6-7-11-12(8-10)19-15(14(18)13(11)17)9-4-2-1-3-5-9/h1-8,16,18H
Smiles C1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C=C3)O)O
Nring 3.0
Defined Bond Stereocenter Count 0.0