Structure Database (LMSD)
Common Name
N-linolenoyl dopamine
Systematic Name
N-(9Z,12Z,15Z-octadecatrienoyl) dopamine
Synonyms
- N-alpha-linolenoyl dopamine
LM ID
LMFA08020271
Formula
Exact Mass
Calculate m/z
413.292994
Sum Composition
Status
Curated
3D model of N-linolenoyl dopamine
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Reference
Acylamido analogs of endocannabinoids selectively inhibit cancer cell proliferation. Sumner Burstein and Rebecca Salmonsen. Bioorganic & Medicinal Chemistry. Volume 16, Issue 22, 15 November 2008, pp. 9644-9651.https://doi.org/10.1016/j.bmc.2008.10.015
https://www.sciencedirect.com/science/article/pii/S0968089608009541
https://www.sciencedirect.com/science/article/pii/S0968089608009541
String Representations
InChiKey (Click to copy)
WKASWGQDAKPOAS-PDBXOOCHSA-N
InChi (Click to copy)
InChI=1S/C26H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(30)27-21-20-23-18-19-24(28)25(29)22-23/h3-4,6-7,9-10,18-19,22,28-29H,2,5,8,11-17,20-21H2,1H3,(H,27,30)/b4-3-,7-6-,10-9-
SMILES (Click to copy)
C(CCC/C=C\C/C=C\C/C=C\CC)CCCC(=O)NCCC1=CC(O)=C(O)C=C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
30
Rings
1
Aromatic Rings
1
Rotatable Bonds
16
Van der Waals Molecular Volume
453.99
Topological Polar Surface Area
69.56
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
4
logP
6.63
Molar Refractivity
126.24
Admin
Created at
12th Aug 2019
Updated at
12th Aug 2019