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5-Hydroxyflavone

PubChem CID: 68112

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Compound Synonyms 5-Hydroxyflavone, 491-78-1, Primuletin, 5-hydroxy-2-phenylchromen-4-one, 5-hydroxy-2-phenyl-4H-chromen-4-one, NSC-26745, 5-Hydroxy-2-phenylchromone, Primuliten, 5-Hydroxy-2-phenyl-4-benzopyrone, NSC 26745, 378AE9MHL3, 5-Hydroxy-2-phenyl-chromen-4-one, EINECS 207-743-1, MFCD00016944, HYDROXYFLAVONE, 5-, UNII-378AE9MHL3, FLAVONE, 5-HYDROXY-, CHEMBL16807, MLS002639146, IYBLVRRCNVHZQJ-UHFFFAOYSA-, 4H-1-Benzopyran-4-one, 5-hydroxy-2-phenyl-, DTXSID90197690, NSC26745, 5-HYDROXY-2-PHENYL-4H-1-BENZOPYRAN-4-ONE, 5-hydroxy-flavone, Oprea1_688541, 5-Hydroxyflavone, >=97%, BIDD:ER0489, SCHEMBL158303, SPECTRUM1501197, MEGxp0_001696, ACon1_001958, DTXCID50120181, CHEBI:172638, HMS3749C13, 5-Hydroxy-2-phenyl chromen-4-one, CS-B1697, BDBM50049385, LMPK12110099, AKOS015856472, CCG-214308, FH55020, NCGC00095329-01, NCGC00095329-02, NCGC00095329-03, NCGC00179967-01, DA-60449, HY-22024, SMR001490542, H1238, NS00042462, C13276, EN300-7408327, SR-05000002480, SR-05000002480-1, BRD-K08048246-001-01-8, BRD-K08048246-001-03-4, Q63408974
Topological Polar Surface Area 46.5
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 18.0
Isotope Atom Count 0.0
Molecular Complexity 355.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P16116, Q05769, Q9ES14, P25099, P30543, P0DMS8, P11388, P10275, P04150, Q9Y3R4, Q16637, P00352, P16050, P10636, Q03164, P08684, P04062, P49798, Q9UNA4, O75496, Q16236, P05177, P04798, Q13148, P63092, n.a., Q16678, P09467
Iupac Name 5-hydroxy-2-phenylchromen-4-one
Prediction Hob 1.0
Target Id NPT153, NPT93, NPT94, NPT792, NPT51, NPT109, NPT208, NPT1603, NPT1604
Xlogp 2.5
Molecular Formula C15H10O3
Prediction Swissadme 0.0
Inchi Key IYBLVRRCNVHZQJ-UHFFFAOYSA-N
Fcsp3 0.0
Logs -3.688
Rotatable Bond Count 1.0
Logd 3.02
Compound Name 5-Hydroxyflavone
Prediction Hob Swissadme 0.0
Exact Mass 238.063
Formal Charge 0.0
Monoisotopic Mass 238.063
Hydrogen Bond Acceptor Count 3.0
Molecular Weight 238.24
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -3.540578177777778
Inchi InChI=1S/C15H10O3/c16-11-7-4-8-13-15(11)12(17)9-14(18-13)10-5-2-1-3-6-10/h1-9,16H
Smiles C1=CC=C(C=C1)C2=CC(=O)C3=C(C=CC=C3O2)O
Nring 3.0
Defined Bond Stereocenter Count 0.0