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Butyrolactone V

CAT: 0804-HY-N8383Size: 1 EachDry Ice: NoHazardous: No
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Description
Butyrolactone V is a butanolide compound. Butyrolactone V shows antiplasmodial activity against Plasmodium falciparum K1 with an IC50 of 7.9 µg/ml[1].
CAS Number
1151509-01-1
UNSPSC
12352005
Target
Parasite
Type
Natural Products
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/butyrolactone-v.html
Solubility
10 mM in DMSO
Smiles
O=C([C@](C(C1=CC=C(O)C=C1)=C2O)(CC3=CC=C4C(C[C@H](O)C(C)(C)O4)=C3)OC2=O)OC
Molecular Formula
C24H24O8
Molecular Weight
440.44
References & Citations
[1]Haritakun R, et al. Butyrolactones from the fungus Aspergillus terreus BCC 4651. Chem Pharm Bull (Tokyo) . 2010;58 (11) :1545-1548.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported
Isoform
Plasmodium

Chemical Information

Butyrolactone V

Butyrolactone V has been reported in Aspergillus terreus and Aspergillus flavipes with data available.

CAS Number1151509-01-1
PubChem CID70685955
IUPAC Namemethyl (2R)-4-hydroxy-2-[[(3S)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl]methyl]-3-(4-hydroxyphenyl)-5-oxofuran-2-carboxylate
Molecular FormulaC24H24O8
Molecular Weight440.4
XLogP2.8
Topological Polar Surface Area123
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity781
SMILES
CC1([C@H](CC2=C(O1)C=CC(=C2)C[C@@]3(C(=C(C(=O)O3)O)C4=CC=C(C=C4)O)C(=O)OC)O)C
InChI
InChI=1S/C24H24O8/c1-23(2)18(26)11-15-10-13(4-9-17(15)31-23)12-24(22(29)30-3)19(20(27)21(28)32-24)14-5-7-16(25)8-6-14/h4-10,18,25-27H,11-12H2,1-3H3/t18-,24+/m0/s1
InChIKey
NSXYYYUKWBLFQH-MHECFPHRSA-N
Chemical Structure
2D Structure
2D structure of Butyrolactone V
CAS: 1151509-01-1
CID: 70685955
Formula: C24H24O8
MW: 440.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight440.4
XLogP32.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass440.14711772
Monoisotopic Mass440.14711772
Topological Polar Surface Area123 Ų
Heavy Atom Count32
Formal Charge0
Complexity781
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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