Structure Database (LMSD)

Common Name
5-pentadecylresorcinol
Systematic Name
5-pentadecylbenzene-1,3-diol
Synonyms
LM ID
LMPK15030012
Status
Active
Exact Mass
Calculate m/z
320.27153
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)
KVVSCMOUFCNCGX-UHFFFAOYSA-N
InChi (Click to copy)
1S/C21H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(23)17-19/h16-18,22-23H,2-15H2,1H3
SMILES (Click to copy)
C1(O)C=C(CCCCCCCCCCCCCCC)C=C(O)C=1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Anacardium occidentale (#171929)
Magnoliopsida (#3398)
Antibacterial agents from the cashew Anacardium occidentale (Anacardiaceae) nut shell oil,
J. Agric. Food Chem., 1991

Other Databases

KEGG ID
HMDB ID
CHEBI ID
PubChem CID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 1
Aromatic Rings 1
Rotatable Bonds 14
Van der Waals Molecular Volume 358.26
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 6.73
Molar Refractivity 99.17

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Updated at
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