Structure Database (LMSD)
Common Name
17-Hydroxypanaxacol
Systematic Name
(9R,10R)-9,10,17-trihydroxyheptadeca-4,6-diyn-3-one
Synonyms
LM ID
LMFA05000762
Formula
Exact Mass
Calculate m/z
294.18311
Sum Composition
Status
Active
3D model of 17-Hydroxypanaxacol
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
LTIDMSJIINYOAX-IAGOWNOFSA-N
InChi (Click to copy)
InChI=1S/C17H26O4/c1-2-15(19)11-7-6-9-13-17(21)16(20)12-8-4-3-5-10-14-18/h16-18,20-21H,2-5,8,10,12-14H2,1H3/t16-,17-/m1/s1
SMILES (Click to copy)
CCC(=O)C#CC#CC[C@@H](O)[C@H](O)CCCCCCCO
References
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
Aromatic Rings
Rotatable Bonds
10
Van der Waals Molecular Volume
324.62
Topological Polar Surface Area
77.76
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
4
logP
2.27
Molar Refractivity
83.78
Admin
Created at
3rd May 2022
Updated at
3rd May 2022