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Villalstonine

CAT: 0931-T201400-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T201400-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2723-56-0
Target
Parasite, E3 Ligase Ligand-Linker Conjugate
Related Pathways
PROTAC, Microbiology/Virology
Bioactivity
Villalstonine, a bisindole alkaloid, exhibits a broad spectrum of bioactivities, including anticancer, antimalarial, and anti-amoebic properties. It demonstrates potent antimalarial activity against the multidrug-resistant Plasmodium falciparum K1 strain, with an IC50 value of 0.27 μM.
Smiles
O=C(OC)C1N2C=3C=CC=CC3C45CCN6CC(=CC)C1CC6C25OC7(OCC8C9N(C)C(C%10=C(C=%11C=CC=CC%11N%10C)C9)CC8C7C4)C
Molecular Formula
C41H48N4O4
Molecular Weight
660.84
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Villalstonine

villalstonine has been reported in Alstonia macrophylla and Alstonia angustifolia with data available.

CAS Number2723-56-0
PubChem CID5476353
IUPAC Namemethyl (27Z)-27-ethylidene-8,21,40-trimethyl-20,22-dioxa-8,25,30,40-tetrazaundecacyclo[23.11.2.16,17.124,28.01,23.03,21.04,18.07,15.09,14.023,30.031,36]tetraconta-7(15),9,11,13,31,33,35-heptaene-29-carboxylate
Molecular FormulaC41H48N4O4
Molecular Weight660.8
XLogP5.2
Topological Polar Surface Area59.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count49
Formal Charge0
Complexity1440
SMILES
C/C=C/1\CN2CCC34CC5C6CC7C8=C(CC(C6COC5(OC39C2CC1C(N9C1=CC=CC=C41)C(=O)OC)C)N7C)C1=CC=CC=C1N8C
InChI
InChI=1S/C41H48N4O4/c1-6-23-21-44-16-15-40-20-30-26-17-34-36-27(24-11-7-9-13-31(24)43(36)4)18-33(42(34)3)28(26)22-48-39(30,2)49-41(40)35(44)19-25(23)37(38(46)47-5)45(41)32-14-10-8-12-29(32)40/h6-14,25-26,28,30,33-35,37H,15-22H2,1-5H3/b23-6+
InChIKey
XXNYZYBYNFRERU-TXNBCWFRSA-N
Chemical Structure
2D Structure
2D structure of Villalstonine
CAS: 2723-56-0
CID: 5476353
Formula: C41H48N4O4
MW: 660.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight660.8
XLogP35.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass660.36755603
Monoisotopic Mass660.36755603
Topological Polar Surface Area59.4 Ų
Heavy Atom Count49
Formal Charge0
Complexity1440
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count11
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-169339Villalstonine

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