Structure Database (LMSD)

HO OH
Common Name
2-methyl-5-pentadecyl resorcinol
Systematic Name
2-methyl-5-pentadecyl-1,3-benzenediol
Synonyms
LM ID
LMPK15030060
Formula
C22H38O2
Exact Mass
Calculate m/z
334.28718
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Phenolic lipids [PK15]
Alkyl resorcinols and derivatives [PK1503]

String Representations

InChiKey (Click to copy)
BKJGZUZQKDSBSN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-21(23)19(2)22(24)18-20/h17-18,23-24H,3-16H2,1-2H3
SMILES (Click to copy)
C1(O)C=C(CCCCCCCCCCCCCCC)C=C(O)C=1C

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

PubChem CID
177782

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 1
Aromatic Rings 1
Rotatable Bonds 14
Van der Waals Molecular Volume 375.56
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 7.04
Molar Refractivity 103.91

Admin

Created at
4th May 2021
Updated at
4th May 2021