Ligand id: 6569

Name: sulforaphane

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 80.73
Molecular weight 177.03
XLogP 1.18
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Grabacka MM, Gawin M, Pierzchalska M. (2014)
Phytochemical modulators of mitochondria: the search for chemopreventive agents and supportive therapeutics.
Pharmaceuticals (Basel), 7 (9): 913-42. [PMID:25192192]
2. Pawlus AD, Su BN, Keller WJ, Kinghorn AD. (2005)
An anthraquinone with potent quinone reductase-inducing activity and other constituents of the fruits of Morinda citrifolia (noni).
J. Nat. Prod., 68 (12): 1720-2. [PMID:16378361]
3. Tarozzi A, Angeloni C, Malaguti M, Morroni F, Hrelia S, Hrelia P. (2013)
Sulforaphane as a potential protective phytochemical against neurodegenerative diseases.
Oxid Med Cell Longev, 2013: 415078. [PMID:23983898]
4. Zhang Y, Talalay P, Cho CG, Posner GH. (1992)
A major inducer of anticarcinogenic protective enzymes from broccoli: isolation and elucidation of structure.
Proc. Natl. Acad. Sci. U.S.A., 89 (6): 2399-403. [PMID:1549603]