Structure Database (LMSD)

Common Name
Pterostilbene
Systematic Name
Synonyms
LM ID
LMPK13090015
Status
Active
Exact Mass
Calculate m/z
256.109945
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)
VLEUZFDZJKSGMX-ONEGZZNKSA-N
InChi (Click to copy)
InChI=1S/C16H16O3/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h3-11,17H,1-2H3/b4-3+
SMILES (Click to copy)
C1=C(OC)C=C(/C=C/C2=CC=C(O)C=C2)C=C1OC

References

Other Databases

Wikipedia
KEGG ID
HMDB ID
CHEBI ID
PubChem CID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 2
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 246.73
Topological Polar Surface Area 38.69
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 3.58
Molar Refractivity 76.58

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Created at
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Updated at
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