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Wilsonine

CAT: 0013-GTR19179092-02Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19179092-02Size:1 ml x 10 mM (in DMSO)
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Description
Wilsonine is a cephalosporin-derived natural product exhibiting potential antitumor properties. It is utilized in cancer research, where in vitro studies investigate its mechanisms of action against tumor cell lines.
CAS Number
39024-12-9
Smiles
O (C) [C@H]1C[C@@]23[C@]4 ([C@] (O4) (CN2CCCC=5C3=CC (OC) =C (OC) C5) [H]) C=C1
Molecular Formula
C20H25NO4
Molecular Weight
343.42
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Wilsonine

CID 91895285 has been reported in Cephalotaxus fortunei, Cephalotaxus harringtonia, and Cephalotaxus sinensis with data available.

CAS Number39024-12-9
PubChem CID630102
IUPAC Name4,5,18-trimethoxy-14-oxa-11-azapentacyclo[9.8.0.01,15.02,7.013,15]nonadeca-2,4,6,16-tetraene
Molecular FormulaC20H25NO4
Molecular Weight343.4
XLogP1.7
Topological Polar Surface Area43.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity568
SMILES
COC1CC23C4=CC(=C(C=C4CCCN2CC5C3(O5)C=C1)OC)OC
InChI
InChI=1S/C20H25NO4/c1-22-14-6-7-20-18(25-20)12-21-8-4-5-13-9-16(23-2)17(24-3)10-15(13)19(20,21)11-14/h6-7,9-10,14,18H,4-5,8,11-12H2,1-3H3
InChIKey
JCKPCZAYDZJZIL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Wilsonine
CAS: 39024-12-9
CID: 630102
Formula: C20H25NO4
MW: 343.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight343.4
XLogP31.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass343.17835828
Monoisotopic Mass343.17835828
Topological Polar Surface Area43.5 Ų
Heavy Atom Count25
Formal Charge0
Complexity568
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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