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Genkwanin

PubChem CID: 5281617

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Compound Synonyms Genkwanin, 437-64-9, 4',5-Dihydroxy-7-methoxyflavone, Gengkwanin, Puddumetin, 7-O-Methylapigenin, 5,4'-Dihydroxy-7-methoxyflavone, 7-Methoxyapigenin, Apigenin 7-methyl ether, Gonkwanin, 7-Methylapigenin, 5-Hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-chromen-4-one, Henquanin, 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one, 4H-1-Benzopyran-4-one, 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-, UNII-5K3I5D6B2B, 5K3I5D6B2B, CHEBI:75718, CHEMBL210635, DTXSID80195908, Flavone, 4',5-dihydroxy-7-methoxy-, 4'',5-dihydroxy-7-methoxyflavone, MFCD00017452, 7'O-methyl-apigenin, Genkwanin (Standard), Spectrum_000330, SpecPlus_000835, Spectrum2_001355, Spectrum3_001401, Spectrum4_001667, Spectrum5_000573, BSPBio_003042, KBioGR_002193, KBioSS_000810, DivK1c_006931, Genkwanin, analytical standard, SCHEMBL866123, SPBio_001569, 4,5-Dihydroxy-7-methoxyflavone, Genkwanin, >=98% (HPLC), HY-N0731R, KBio1_001875, KBio2_000810, KBio2_003378, KBio2_005946, KBio3_002262, DTXCID80118399, HY-N0731, 4'',5-dihydroxy-7-methoxy flavone, BDBM50187658, CCG-38838, LMPK12111018, s9287, AKOS015896775, FG23656, NCGC00178332-01, NCGC00178332-02, AC-34953, AS-60761, 1ST158067, DB-051163, CS-0009744, NS00083543, 4',5-Dihydroxy-7-methoxyflavone, AldrichCPR, C10046, Q3050376, BRD-K29160894-001-02-9, 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-chromen-4-one, 5-Hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-chromen-4-one #, 4',5-Dihydroxy-7-methoxyflavone, 7-Methylapigenin, 7-O-Methylapigenin
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 76.0
Hydrogen Bond Donor Count 2.0
Pfizer 3 75 Rule True
Scaffold Graph Level CC1CC(C2CCCCC2)CC2CCCCC12
Np Classifier Class Flavones
Deep Smiles COcccO)ccc6)occc6=O)))cccccc6))O
Heavy Atom Count 21.0
Classyfire Class Flavonoids
Description Genkwanin, also known as 5,4'-dihydroxy-7-methoxyflavone or 7-methylapigenin, is a member of the class of compounds known as 7-o-methylated flavonoids. 7-o-methylated flavonoids are flavonoids with methoxy groups attached to the C7 atom of the flavonoid backbone. Thus, genkwanin is considered to be a flavonoid lipid molecule. Genkwanin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Genkwanin is a bitter tasting compound and can be found in a number of food items such as winter savory, sweet basil, rosemary, and common sage, which makes genkwanin a potential biomarker for the consumption of these food products. Genkwanin is an O-methylated flavone, a type of flavonoid. It can be found in the seeds of Alnus glutinosa, and the leaves of the ferns Notholaena bryopoda and Asplenium normale .
Scaffold Graph Node Level OC1CC(C2CCCCC2)OC2CCCCC12
Classyfire Subclass O-methylated flavonoids
Isotope Atom Count 0.0
Molecular Complexity 424.0
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P06239, Q72547, P04745, Q9Y3R4, P04798, Q16678, Q9Y6L6, Q9NPD5, Q15118, Q9UHH9, Q8NFU5, Q9HBH9
Iupac Name 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
Prediction Hob 1.0
Class Flavonoids
Veber Rule True
Classyfire Superclass Phenylpropanoids and polyketides
Target Id NPT3213
Xlogp 2.1
Superclass Phenylpropanoids and polyketides
Subclass O-methylated flavonoids
Gsk 4 400 Rule True
Molecular Formula C16H12O5
Scaffold Graph Node Bond Level O=c1cc(-c2ccccc2)oc2ccccc12
Prediction Swissadme 0.0
Inchi Key JPMYFOBNRRGFNO-UHFFFAOYSA-N
Silicos It Class Moderately soluble
Fcsp3 0.0625
Logs -3.724
Rotatable Bond Count 2.0
Logd 2.928
Synonyms 5,4'-Dihydroxy-7-methoxyflavone, 7-Methoxyapigenin, Apigenin 7-methyl ether, Flavone, 4',5-dihydroxy-7-methoxy-, Gengkwanin, 7-Methylapigenin, 5,4'-Dihydroxy-7-methoxy-flavone, 4'5-dihydroxy-7-methoxyflavone, flavone 5,4'-dihydroxy-7-methoxy, flavone, 5,4' -dihydroxy-7-methoxy, flavone, 5,4'-dihydroxy-7-methoxy, flavone,4,5-dihydroxy-7-methoxy, gengkwanin, genkwanin, puddumetin
Esol Class Moderately soluble
Functional Groups c=O, cO, cOC, coc
Compound Name Genkwanin
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 284.068
Formal Charge 0.0
Monoisotopic Mass 284.068
Hydrogen Bond Acceptor Count 5.0
Molecular Weight 284.26
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aromatic heteropolycyclic compounds
Lipinski Rule Of 5 True
Esol -3.420264923809524
Inchi InChI=1S/C16H12O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3
Smiles COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O
Nring 3.0
Np Classifier Biosynthetic Pathway Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Taxonomy Direct Parent 7-O-methylated flavonoids
Np Classifier Superclass Flavonoids