Structure Database (LMSD)

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

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

Other Databases

Wikipedia
KEGG ID
HMDB ID
CHEBI ID
PubChem CID
Cayman ID
PDB 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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