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Pabularinone

CAT: 0013-GTR19266198-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19266198-02Size:10 mg
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Description
Pabularinone is a compound found in plants of the Clausena lansium genus. It exhibits potential cytotoxic activity, showing inhibitory effects in human breast cancer (MCF-7) cells with an IC50 of 33.74 μg/mL. Pabularinone can be utilized in anti-tumor research.
CAS Number
4889-31-0
Smiles
O=C1OC2=C (OCC (=O) C (C) C) C=3OC=CC3C=C2C=C1
Molecular Formula
C16H14O5
Molecular Weight
286.28
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Pabularinone

pabularinone has been reported in Pleurospermum rivulorum, Prangos uloptera, and Prangos tschimganica with data available.

CAS Number4889-31-0
PubChem CID14521099
IUPAC Name9-(3-methyl-2-oxobutoxy)furo[3,2-g]chromen-7-one
Molecular FormulaC16H14O5
Molecular Weight286.28
XLogP2.7
Topological Polar Surface Area65.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity456
SMILES
CC(C)C(=O)COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2
InChI
InChI=1S/C16H14O5/c1-9(2)12(17)8-20-16-14-11(5-6-19-14)7-10-3-4-13(18)21-15(10)16/h3-7,9H,8H2,1-2H3
InChIKey
SVPDNNKLQWHTPC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pabularinone
CAS: 4889-31-0
CID: 14521099
Formula: C16H14O5
MW: 286.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight286.28
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass286.08412354
Monoisotopic Mass286.08412354
Topological Polar Surface Area65.7 Ų
Heavy Atom Count21
Formal Charge0
Complexity456
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TN11406-01Pabularinone

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