Structure Database (LMSD)

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

Classification

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

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

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

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