Stercurensin

Base Information

• Chemical Name: Stercurensin
• CAS No.: 94388-75-7
• Molecular Formula: C₁₇H₁₆O₄
• Molecular Weight: 284.312
• ChEMBL ID: CHEMBL1271362
• DSSTox Substance ID: DTXSID201151943
• Metabolomics Workbench ID: 26699
• Nikkaji Number: J230.936J
• Wikidata: Q27138991
• Mol file: 94388-75-7.mol

Synonyms:Stercurensin;CHEBI:70659;94388-75-7;CHEMBL1271362;2',4'-dihydroxy-3'-methyl-6'-methoxychalcone;(E)-1-(2,4-dihydroxy-6-methoxy-3-methylphenyl)-3-phenylprop-2-en-1-one;2',4'-dihydroxy-6'-methoxy-3'-methylchalcone;SCHEMBL662966;DTXSID201151943;BDBM50482873;LMPK12120223;Q27138991;(2E)-1-(2,4-Dihydroxy-6-methoxy-3-methylphenyl)-3-phenyl-2-propen-1-one;(2E)-1-(2,4-dihydroxy-6-methoxy-3-methylphenyl)-3-phenylprop-2-en-1-one;1-(2,4-Dihydroxy-6-methoxy-3-methylphenyl)-3-phenyl-2-propen-1-one

Chemical Property of Stercurensin

Chemical Property:

• PSA: 66.76000
• LogP: 3.31090
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 284.10485899
• Heavy Atom Count: 21
• Complexity: 373

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=C(C=C1O)OC)C(=O)C=CC2=CC=CC=C2)O
• Isomeric SMILES: CC1=C(C(=C(C=C1O)OC)C(=O)/C=C/C2=CC=CC=C2)O