Structure Database (LMSD)
Common Name
Micropine
Systematic Name
6S-((deca-1E,3E,5E-trienyl)-2R-(hydroxymethyl)-piperidin-3R-ol
Synonyms
LM ID
LMSP01080050
Status
Active
Exact Mass
Calculate m/z
265.204179
Formula
Abbrev
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
YVWVILBCUPRAIC-LKFDHHINSA-N
InChi (Click to copy)
InChI=1S/C16H27NO2/c1-2-3-4-5-6-7-8-9-10-14-11-12-16(19)15(13-18)17-14/h5-10,14-19H,2-4,11-13H2,1H3/b6-5+,8-7+,10-9+/t14-,15-,16-/m1/s1
SMILES (Click to copy)
[C@@H]1(/C=C/C=C/C=C/CCCC)CC[C@@H](O)[C@@H](CO)N1
References
Calculated Physicochemical Properties
Heavy Atoms
19
Rings
1
Aromatic Rings
0
Rotatable Bonds
7
Van der Waals Molecular Volume
293.66
Topological Polar Surface Area
52.49
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
3
logP
3.46
Molar Refractivity
82.01
Admin
Created at
-
Updated at
21st Dec 2021