Citrunobin

Base Information

• Chemical Name: Citrunobin
• CAS No.: 126026-23-1
• Molecular Formula: C21H20 O5
• DSSTox Substance ID: DTXSID701318455
• Metabolomics Workbench ID: 26784
• Nikkaji Number: J2.535.071E
• Wikidata: Q76423887
• Mol file: 126026-23-1.mol

Synonyms:Citrunobin;CHEBI:175512;DTXSID701318455;LMPK12120308;126026-23-1;(E)-1-(7-hydroxy-5-methoxy-2,2-dimethylchromen-8-yl)-3-(4-hydroxyphenyl)prop-2-en-1-one

Chemical Property of Citrunobin

Chemical Property:

• XLogP3: 4.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 352.13107373
• Heavy Atom Count: 26
• Complexity: 559

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1(C=CC2=C(C=C(C(=C2O1)C(=O)C=CC3=CC=C(C=C3)O)O)OC)C
• Isomeric SMILES: CC1(C=CC2=C(C=C(C(=C2O1)C(=O)/C=C/C3=CC=C(C=C3)O)O)OC)C