Structure Database (LMSD)

Common Name
(Z)-3-(pentadec-8-en-1-yl)phenol
Systematic Name
(Z)-3-(pentadec-8-en-1-yl)phenol
Synonyms
LM ID
LMPK15010007
Formula
C21H34O
Exact Mass
Calculate m/z
302.260965
Status
Curated
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)
YLKVIMNNMLKUGJ-FPLPWBNLSA-N
InChi (Click to copy)
InChI=1S/C21H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-20-17-15-18-21(22)19-20/h7-8,15,17-19,22H,2-6,9-14,16H2,1H3/b8-7-
SMILES (Click to copy)
C1C=C(CCCCCCC/C=C\CCCCCC)C=C(O)C=1

Other Databases

KEGG ID
C10785
PubChem CID
5281854
Cayman ID
23154

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 1
Aromatic Rings 1
Rotatable Bonds 13
Van der Waals Molecular Volume 346.83
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 6.80
Molar Refractivity 97.41

Admin

Created at
-
Updated at
10th Mar 2024