Structure Database (LMSD)
Common Name
6-((8Z,11Z,)-penttadeca-8,11-dien-1-yl)salicylic acid
Systematic Name
2-hydroxy-6-[(8Z,11Z)-pentadeca-8,11-dienyl]benzoic acid
Synonyms
3D model of 6-((8Z,11Z,)-penttadeca-8,11-dien-1-yl)salicylic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
KAOMOVYHGLSFHQ-UTOQUPLUSA-N
InChi (Click to copy)
InChI=1S/C22H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h4-5,7-8,15,17-18,23H,2-3,6,9-14,16H2,1H3,(H,24,25)/b5-4-,8-7-
SMILES (Click to copy)
C1C=C(CCCCCCC/C=C\C/C=C\CCC)C(C(O)=O)=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
J. Agric. Food Chem., 1991
DOI:
10.1021/jf00002a039
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
25
Rings
1
Aromatic Rings
1
Rotatable Bonds
13
Van der Waals Molecular Volume
376.43
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
6.28
Molar Refractivity
104.28
Admin
Created at
4th May 2021
Updated at
4th May 2021