Structure Database (LMSD)

Common Name
Pinosylvin
Systematic Name
Synonyms
LM ID
LMPK13090001
Formula
C14H12O2
Exact Mass
Calculate m/z
212.08373
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Aromatic polyketides [PK13]
Diphenyl ethers, biphenyls, dibenzyls and stilbenes [PK1309]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Pinus sylvestris (#3349)
Pinopsida (#58019)
Antibacterial and antifungal activity of pinosylvin, a constituent of pine.,
Fitoterapia, 2005
Pubmed ID: 15752644

String Representations

InChiKey (Click to copy)
YCVPRTHEGLPYPB-VOTSOKGWSA-N
InChi (Click to copy)
InChI=1S/C14H12O2/c15-13-8-12(9-14(16)10-13)7-6-11-4-2-1-3-5-11/h1-10,15-16H/b7-6+
SMILES (Click to copy)
C1=CC=C(/C=C/C2=CC(O)=CC(O)=C2)C=C1

Other Databases

Wikipedia
Pinosylvin
KEGG ID
C01745
CHEBI ID
17323
PubChem CID
5280457
Cayman ID
27612

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 2
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 203.34
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 3.27
Molar Refractivity 65.14

Admin

Created at
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Updated at
5th Feb 2022