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Liquiritigenin

PubChem CID: 114829

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Compound Synonyms Liquiritigenin, 578-86-9, 4',7-Dihydroxyflavanone, (S)-7-Hydroxy-2-(4-hydroxyphenyl)chroman-4-one, 5-DEOXYFLAVANONE, (2S)-liquiritigenin, Menerba, 7,4'-Dihydroxyflavanone, (-)-liquiritigenin, LIQUIRTIGENIN, 7-hydroxy-2-(4-hydroxy-phenyl)-chroman-4-one, UNII-T194LKP9W6, T194LKP9W6, CHEBI:28777, MF101, (-)-(2s)-7,4'-dihydroxyflavanone, (2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one, CHEMBL252642, DTXSID90206493, (2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one, (2S)-7-Hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-1-benzopyran-4-one, 4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-, (2S)-, 4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-,(2S)-, FLAVANONE, 4',7-DIHYDROXY-, 4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-, (S)-, DFV, (S)-liquiritigenin, SCHEMBL74552, GTPL8899, DTXCID90128984, FURUXTVZLHCCNA-AWEZNQCLSA-N, GLXC-13419, BCP18371, HY-N0377, BDBM50241408, LMPK12140061, MF-101, s3929, STL578166, Liquiritigenin, >=97.0% (HPLC), AKOS015903151, CCG-267019, CS-6977, DB03601, NCGC00370972-01, AC-33949, AS-18739, DA-65004, FD156995, 1ST168285, NS00068445, C09762, A831662, (2S)-7-hydroxy-2-(4-hydroxyphenyl)chroman-4-one, Q6557526, BRD-K34328244-001-01-4, (2S)-2-(4-hydroxyphenyl)-7-oxidanyl-2,3-dihydrochromen-4-one, (2S)-7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 66.8
Hydrogen Bond Donor Count 2.0
Pfizer 3 75 Rule False
Scaffold Graph Level CC1CC(C2CCCCC2)CC2CCCCC12
Np Classifier Class Flavanones
Deep Smiles Occcccc6))[C@@H]CC=O)ccO6)cccc6))O
Heavy Atom Count 19.0
Classyfire Class Flavonoids
Scaffold Graph Node Level OC1CC(C2CCCCC2)OC2CCCCC12
Classyfire Subclass Flavans
Isotope Atom Count 0.0
Molecular Complexity 335.0
Database Name cmaup_ingredients;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 1.0
Uniprot Id P11511, P80457, n.a., P18031, P05412, Q04206, P14780, P33437, B4URF0, Q16236, P14679, P04798, Q16678, P28074, P0DTD1, P07947
Iupac Name (2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
Prediction Hob 1.0
Class Flavonoids
Veber Rule True
Classyfire Superclass Phenylpropanoids and polyketides
Target Id NPT441, NPT1663
Xlogp 2.2
Superclass Phenylpropanoids and polyketides
Subclass Flavans
Gsk 4 400 Rule True
Molecular Formula C15H12O4
Scaffold Graph Node Bond Level O=C1CC(c2ccccc2)Oc2ccccc21
Prediction Swissadme 0.0
Inchi Key FURUXTVZLHCCNA-AWEZNQCLSA-N
Silicos It Class Soluble
Fcsp3 0.1333333333333333
Logs -4.088
Rotatable Bond Count 1.0
State Solid
Logd 2.458
Synonyms (-)-Liquiritigenin, (2S)-7-Hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-1-benzopyran-4-one, (2S)-Liquiritigenin, 4',7-Dihydroxyflavanone, 7,4'-Dihydroxyflavanone, (-)-(2S)-7,4'-Dihydroxyflavanone, (-)-(2S)-7,4’-Dihydroxyflavanone, (-)-(S)-4',7-Dihydroxyflavanone, (-)-(S)-4’,7-Dihydroxyflavanone, (2S)-2,3-Dihydro-7-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, (2S)-7-Hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one, 4’,7-Dihydroxyflavanone, 7,4’-Dihydroxyflavanone, Liquiritigenin, 5-Deoxyflavanone, DFV, 5-deoxyflavanone, 74-dihydroxyflavanone, isoflavone-liquiritigenin, liquiritigenin, liquiritigenin dihydroxyflavonone), liquirtigenin
Esol Class Soluble
Functional Groups cC(C)=O, cO, cOC
Compound Name Liquiritigenin
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 256.074
Formal Charge 0.0
Monoisotopic Mass 256.074
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 256.25
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aromatic heteropolycyclic compounds
Lipinski Rule Of 5 True
Esol -3.2791618210526314
Inchi InChI=1S/C15H12O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-7,14,16-17H,8H2/t14-/m0/s1
Smiles C1[C@H](OC2=C(C1=O)C=CC(=C2)O)C3=CC=C(C=C3)O
Nring 3.0
Np Classifier Biosynthetic Pathway Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Taxonomy Direct Parent Flavanones
Np Classifier Superclass Flavonoids