Structure Database (LMSD)

OH
Common Name
3-((8Z,11Z)-pentadeca-8,11-dien-1-yl)phenol
Systematic Name
3-((8Z,11Z)-pentadeca-8,11-dien-1-yl)phenol
Synonyms
LM ID
LMPK15010009
Formula
C21H32O
Exact Mass
Calculate m/z
300.245315
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Phenolic lipids [PK15]
Alkyl phenols and derivatives [PK1501]

String Representations

InChiKey (Click to copy)
FAYVLNWNMNHXGA-UTOQUPLUSA-N
InChi (Click to copy)
InChI=1S/C21H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-20-17-15-18-21(22)19-20/h4-5,7-8,15,17-19,22H,2-3,6,9-14,16H2,1H3/b5-4-,8-7-
SMILES (Click to copy)
C1C=C(CCCCCCC/C=C\C/C=C\CCC)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

PubChem CID
11098630
Cayman ID
23153

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 1
Aromatic Rings 1
Rotatable Bonds 12
Van der Waals Molecular Volume 344.19
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 6.58
Molar Refractivity 97.32

Admin

Created at
-
Updated at
10th Mar 2024