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Licoagrochalcone A

PubChem CID: 11099375

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Compound Synonyms licoagrochalcone A, 202815-28-9, (E)-1-(2,4-dihydroxyphenyl)-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]prop-2-en-1-one, 3-Prenyl-4,2',4'-trihydroxychalcone, CHEMBL229885, Chalcone base + 3O, 1Prenyl, (E)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxy-3-(3-methylbut-2-enyl)phenyl)prop-2-en-1-one, SCHEMBL632907, DTXSID101316001, BDBM50212400, LMPK12120068, (E)-2',4,4'-Trihydroxy-3-prenylchalcone, 1-(2,4-dihydroxyphenyl)-3-[4-hydroxy-3-(3-methylbut-2-enyl)-phenyl]-prop-2-en-1-one, 1-(2,4-Dihydroxyphenyl)-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-prop-2-en-1-one
Topological Polar Surface Area 77.8
Hydrogen Bond Donor Count 3.0
Heavy Atom Count 24.0
Isotope Atom Count 0.0
Molecular Complexity 478.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P18031, P11511, B4URF0, P10481, n.a., Q16236, P14679
Iupac Name (E)-1-(2,4-dihydroxyphenyl)-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]prop-2-en-1-one
Prediction Hob 1.0
Target Id NPT178
Xlogp 5.1
Molecular Formula C20H20O4
Prediction Swissadme 0.0
Inchi Key TVUGLERLRIQATC-BJMVGYQFSA-N
Fcsp3 0.15
Logs -3.6
Rotatable Bond Count 5.0
Logd 3.66
Compound Name Licoagrochalcone A
Prediction Hob Swissadme 0.0
Exact Mass 324.136
Formal Charge 0.0
Monoisotopic Mass 324.136
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 324.4
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 1.0
Esol -5.1041312
Inchi InChI=1S/C20H20O4/c1-13(2)3-6-15-11-14(4-9-18(15)22)5-10-19(23)17-8-7-16(21)12-20(17)24/h3-5,7-12,21-22,24H,6H2,1-2H3/b10-5+
Smiles CC(=CCC1=C(C=CC(=C1)/C=C/C(=O)C2=C(C=C(C=C2)O)O)O)C
Nring 2.0
Defined Bond Stereocenter Count 1.0