Glabranin

Base Information

• Chemical Name: Glabranin
• CAS No.: 41983-91-9
• Molecular Formula: C20H20O4
• Molecular Weight: 324.3704
• DSSTox Substance ID: DTXSID00194796
• Nikkaji Number: J742.819G
• Wikidata: Q27106734
• Pharos Ligand ID: Y4B5G25TA3HC
• Metabolomics Workbench ID: 27328
• ChEMBL ID: CHEMBL253998
• Mol file: 41983-91-9.mol

Synonyms:Glabranin;41983-91-9;Glabranine;8-Prenylpinocembrin;CHEBI:5368;TNP00074;(2S)-5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-phenyl-2,3-dihydrochromen-4-one;(S)-2,3-Dihydro-5,7-dihydroxy-8-(3-methyl-2-butenyl)-2-phenyl-4H-1-benzopyran-4-one;4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-8-(3-methyl-2-butenyl)-2-phenyl-, (S)-;(2s)-5,7-dihydroxy-8-(3-methylbut-2-en-1-yl)-2-phenyl-2,3-dihydro-4h-chromen-4-one;8-dimethylallylpinocembrin;TimTec1_002029;SCHEMBL320136;CHEMBL253998;BDBM26663;DTXSID00194796;HMS1539M05;HY-N3942;LMPK12140164;STL564423;AKOS001737904;NCGC00017206-01;NCGC00017206-02;NCGC00142379-01;LS-39551;MS-24833;XP161632;CS-0024491;C09752;SR-01000530493;SR-01000530493-1;BRD-K83252656-001-01-7;Q27106734;(2S)-5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-phenyl-chroman-4-one;(2S)-5,7-dihydroxy-8-(3-methylbut-2-en-1-yl)-2-phenyl-2,3-dihydro-4H-1-benzopyran-4-one;(2S)-5,7-dihydroxy-8-(3-methylbut-2-en-1-yl)-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one;4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-8-(3-methyl-2-butenyl)-2-phenyl-, (2S)-

Chemical Property of Glabranin

Chemical Property:

• Vapor Pressure: 1.58E-12mmHg at 25°C
• Refractive Index: 1.621
• Boiling Point: 545.9 °C at 760 mmHg
• PKA: 7.68±0.40(Predicted)
• Flash Point: 197.1 °C
• PSA: 66.76000
• Density: 1.244g/cm³
• LogP: 4.31300
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 324.13615911
• Heavy Atom Count: 24
• Complexity: 476

Purity/Quality:

99%, ^*data from raw suppliers

Glabranin 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCC1=C2C(=C(C=C1O)O)C(=O)CC(O2)C3=CC=CC=C3)C
• Isomeric SMILES: CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C[C@H](O2)C3=CC=CC=C3)C