Structure Database (LMSD)

Common Name
Resveratrol
Systematic Name
Synonyms
  • 3,4',5-trihydroxystilbene
LM ID
LMPK13090005
Status
Active
Exact Mass
Calculate m/z
228.078645
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)
LUKBXSAWLPMMSZ-OWOJBTEDSA-N
InChi (Click to copy)
InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
SMILES (Click to copy)
C1=C(O)C=C(/C=C/C2=CC=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 17
Rings 2
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 212.13
Topological Polar Surface Area 60.69
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 3
logP 2.97
Molar Refractivity 66.81

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Created at
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Updated at
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