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WML-01

CAT: 0804-HY-178717Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-178717Size:1 Each
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
WML-01 is a fungicide with EC50s of 0.079, 0.72 and 2.02 μg/mL against F. graminearum, F. fujikuroi and S. sclerotiorum. WML-01 disrupts the cell membrane of F. graminearum and induces deposition of lipid droplets. WML-01 inhibits Deoxynivalenol (DON) biosynthesis with no cross-resistance and strongly suppresses ribosomal subunit assembly, impairing protein synthesis. WML-01 effectively controls the fusarium head blight (FHB) epidemic[1].
CAS Number
3057478-36-8
UNSPSC
12352005
Target
Fungal
Related Pathways
Anti-infection
Field of Research
Infection
Smiles
CC1=C(C(OC12CCCCC2)=O)/C(C)=C3SC(NC/3=O)=S
Molecular Formula
C15H17NO3S2
Molecular Weight
323.43
References & Citations
[1]Li Y, et al. Discovery of WML-01, a Spirocyclic Butenolide Derivative Featuring a Rhodanine Motif, Exhibiting High Fungicidal Activity against Fusarium Species. J Agric Food Chem. 2025 Oct 15;73 (41) :25805-25812.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

5-[1-(4-Methyl-2-oxo-1-oxaspiro[4.5]dec-3-en-3-yl)ethylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CAS Number3057478-36-8
PubChem CID178421104
IUPAC Name5-[1-(4-methyl-2-oxo-1-oxaspiro[4.5]dec-3-en-3-yl)ethylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Molecular FormulaC15H17NO3S2
Molecular Weight323.4
XLogP3.2
Topological Polar Surface Area113
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count21
Formal Charge0
Complexity612
SMILES
CC1=C(C(=O)OC12CCCCC2)C(=C3C(=O)NC(=S)S3)C
InChI
InChI=1S/C15H17NO3S2/c1-8(11-12(17)16-14(20)21-11)10-9(2)15(19-13(10)18)6-4-3-5-7-15/h3-7H2,1-2H3,(H,16,17,20)
InChIKey
OBUFKZQMCMYKRK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-[1-(4-Methyl-2-oxo-1-oxaspiro[4.5]dec-3-en-3-yl)ethylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CAS: 3057478-36-8
CID: 178421104
Formula: C15H17NO3S2
MW: 323.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight323.4
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass323.06498575
Monoisotopic Mass323.06498575
Topological Polar Surface Area113 Ų
Heavy Atom Count21
Formal Charge0
Complexity612
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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