Structure Database (LMSD)
Common Name
Pterostilbene
Systematic Name
Synonyms
3D model of Pterostilbene
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
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
Other Databases
Wikipedia
KEGG ID
HMDB ID
CHEBI ID
PubChem CID
Cayman ID
PDB ID
GuidePharm 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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