Structure Database (LMSD)
Common Name
alpha-Santonin
Systematic Name
Synonyms
3D model of alpha-Santonin
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Level 4 Class
Biological Context
Santonin is a sesquiterpenoid lactone that has been found in Artemisia.1 It has been used as a building block in the synthesis of terpenoids. Santonin is an anthelmintic that induces paralysis of A. lumbricoides.2
This information has been provided by Cayman Chemical
References
1. Banerjee, A.K., Vera, W.J., and Gonzalez, N.C. Synthesis of terpenoid compounds from α-santonin. Tetrahedron 49(122), 4761-4788 (1993).
2. Hermoso, R., and Monteoliva, M. Survival study of parasitic helminths. III. Effects of antihelminthic and other drugs on survival of Ascaris lumbricoides. Rev. Iber. Parasitol. 31(4), 567-585 (1970).
String Representations
InChiKey (Click to copy)
XJHDMGJURBVLLE-BOCCBSBMSA-N
InChi (Click to copy)
InChI=1S/C15H18O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7-8,10,13H,4,6H2,1-3H3/t8-,10-,13-,15-/m0/s1
SMILES (Click to copy)
[C@H]12OC([C@@H](C)[C@@H]1CC[C@@]1(C)C=CC(=O)C(C)=C21)=O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
18
Rings
3
Aromatic Rings
0
Rotatable Bonds
0
Van der Waals Molecular Volume
246.79
Topological Polar Surface Area
45.44
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
3
logP
2.71
Molar Refractivity
67.23
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Updated at
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