3-Hydroxyglabrol

Base Information

• Chemical Name: 3-Hydroxyglabrol
• CAS No.: 74148-41-7
• Molecular Formula: C25H28 O5
• Molecular Weight: 408.49
• UNII: FTR3GY7U1I
• DSSTox Substance ID: DTXSID701316697
• Nikkaji Number: J942.908E
• Wikidata: Q27278192
• Metabolomics Workbench ID: 136445
• ChEMBL ID: CHEMBL463947
• Mol file: 74148-41-7.mol

Synonyms:3-Hydroxyglabrol;UNII-FTR3GY7U1I;FTR3GY7U1I;74148-41-7;4H-1-Benzopyran-4-one, 2,3-dihydro-3,7-dihydroxy-2-(4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl)-8-(3-methyl-2-buten-1-yl)-, (2R,3R)-;3-hydroxy-glabrol;CHEBI:191827;DTXSID701316697;(2R,3R)-3,7-dihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one;Q27278192;(2R,3R)-3,7-Dihydroxy-2-[4-hydroxy-3-((E)-3-methyl-but-2-enyl)-phenyl]-8-(3-methyl-but-2-enyl)-1-benzopyran-4-one;(2R,3R)-3,7-dihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-8-(3-methylbut-2-enyl)chroman-4-one

Chemical Property of 3-Hydroxyglabrol

Chemical Property:

• Boiling Point: 639.7±55.0 °C(Predicted)
• PKA: 8.15±0.60(Predicted)
• PSA: 86.99000
• Density: 1.225±0.06 g/cm3(Predicted)
• LogP: 4.79250
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 408.19367399
• Heavy Atom Count: 30
• Complexity: 661

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=CCC1=C(C=CC(=C1)C2C(C(=O)C3=C(O2)C(=C(C=C3)O)CC=C(C)C)O)O)C
• Isomeric SMILES: CC(=CCC1=C(C=CC(=C1)[C@@H]2[C@H](C(=O)C3=C(O2)C(=C(C=C3)O)CC=C(C)C)O)O)C