Fukugetin

Base Information

• Chemical Name: Fukugetin
• CAS No.: 16851-21-1
• Molecular Formula: C30H20 O11
• Molecular Weight: 556.482
• UNII: XH2KXX2C5D
• DSSTox Substance ID: DTXSID60168574
• Nikkaji Number: J161.424J
• Wikipedia: Morelloflavone
• Wikidata: Q15634193
• Metabolomics Workbench ID: 122835
• ChEMBL ID: CHEMBL1215433
• Mol file: 16851-21-1.mol

Synonyms:fukugetin;morelloflavone

Chemical Property of Fukugetin

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 922.7°Cat760mmHg
• Flash Point: 310.6°C
• PSA: 198.12000
• Density: 1.681g/cm³
• LogP: 4.49940
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 3
• Exact Mass: 556.10056145
• Heavy Atom Count: 41
• Complexity: 1020

Purity/Quality:

98% ^*data from raw suppliers

Morelloflavone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2C(C(=O)C3=C(C=C(C=C3O2)O)O)C4=C(C=C(C5=C4OC(=CC5=O)C6=CC(=C(C=C6)O)O)O)O)O
• Isomeric SMILES: C1=CC(=CC=C1[C@@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)O)O)C4=C(C=C(C5=C4OC(=CC5=O)C6=CC(=C(C=C6)O)O)O)O)O

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