Structure Database (LMSD)

Common Name
Resveratrol
Systematic Name
Synonyms
  • 3,4',5-trihydroxystilbene
LM ID
LMPK13090005
Formula
Exact Mass
Calculate m/z
228.078645
Status
Active


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
PDB ID
GuidePharm 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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