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Toddaculin

CAT: 1410-M24396-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1410-M24396-03Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Toddaculine may be beneficial for the prevention and treatment of osteoporosis, it can not only inhibit the differentiation of osteoclasts via activation of the NF-κB, ERK 1/2, and p38 MAPK signaling pathways.
CAS Number
4335-12-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
274.3
Molecular Formula
C16H18O4
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

Toddaculin

2H-1-Benzopyran-2-one, 5,7-dimethoxy-6-(3-methyl-2-butenyl)- has been reported in Toddalia asiatica and Zanthoxylum asiaticum with data available.

CAS Number4335-12-0
PubChem CID5321960
IUPAC Name5,7-dimethoxy-6-(3-methylbut-2-enyl)chromen-2-one
Molecular FormulaC16H18O4
Molecular Weight274.31
XLogP3.8
Topological Polar Surface Area44.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count20
Formal Charge0
Complexity409
SMILES
CC(=CCC1=C(C=C2C(=C1OC)C=CC(=O)O2)OC)C
InChI
InChI=1S/C16H18O4/c1-10(2)5-6-11-13(18-3)9-14-12(16(11)19-4)7-8-15(17)20-14/h5,7-9H,6H2,1-4H3
InChIKey
KRQHZFHWEAJPNO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Toddaculin
CAS: 4335-12-0
CID: 5321960
Formula: C16H18O4
MW: 274.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight274.31
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass274.12050905
Monoisotopic Mass274.12050905
Topological Polar Surface Area44.8 Ų
Heavy Atom Count20
Formal Charge0
Complexity409
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

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