Structure Database (LMSD)

Common Name
Piceatannol
Systematic Name
Synonyms
  • 3,3',4'5-tetrahydroxystilbene
LM ID
LMPK13090006
Status
Active
Exact Mass
Calculate m/z
244.07356
Formula



Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
CDRPUGZCRXZLFL-OWOJBTEDSA-N
InChi (Click to copy)
InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+
SMILES (Click to copy)
C1=C(O)C=C(/C=C/C2=CC(O)=C(O)C=C2)C=C1O

References

Other Databases

Wikipedia
KEGG ID
HMDB ID
CHEBI ID
PubChem CID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 2
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 220.92
Topological Polar Surface Area 80.92
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 4
logP 2.68
Molar Refractivity 68.47

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Created at
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Updated at
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