Toddaculine

Modify Date: 2026-07-10 14:11:41

Toddaculine Structure
Toddaculine structure
Common Name Toddaculine
CAS Number 4335-12-0 Molecular Weight 274.31200
Density 1.138g/cm3 Boiling Point 432.8ºC at 760 mmHg
Molecular Formula C16H18O4 Melting Point N/A
MSDS N/A Flash Point 192.2ºC

 Use of Toddaculine


Toddaculin is a natural coumarin that can induce differentiation and apoptosis in leukemic cells. Toddaculin suppresses excess osteoclast activity and enhances osteoblast differentiation and mineralization. Toddaculin also exhibits anti-inflammatory activity[1][2][3].

 Names

Name 5,7-dimethoxy-6-(3-methylbut-2-enyl)chromen-2-one
Synonym More Synonyms

 Toddaculine Biological Activity

Description Toddaculin is a natural coumarin that can induce differentiation and apoptosis in leukemic cells. Toddaculin suppresses excess osteoclast activity and enhances osteoblast differentiation and mineralization. Toddaculin also exhibits anti-inflammatory activity[1][2][3].
Related Catalog
In Vitro Toddaculin (5-250 μM; 24-72 h) shows anti-proliferative activity in U-937 cells, with an IC50 of 51.38 μM[1]. Toddaculin (25-250 μM; 24-48 h) induces partial differentiation in U-937 leukemic cells[1].
References

[1]. Vázquez R, et, al. Toddaculin, a natural coumarin from Toddalia asiatica, induces differentiation and apoptosis in U-937 leukemic cells. Phytomedicine. 2012 Jun 15;19(8-9):737-46.

[2]. Watanabe A, et, al. Toddaculin, Isolated from of Toddalia asiatica (L.) Lam., Inhibited Osteoclastogenesis in RAW 264 Cells and Enhanced Osteoblastogenesis in MC3T3-E1 Cells. PLoS One. 2015 May 18;10(5):e0127158.

[3]. Kumagai M, et, al. Evaluation of Aculeatin and Toddaculin Isolated from Toddalia asiatica as Anti-inflammatory Agents in LPS-Stimulated RAW264 Macrophages. Biol Pharm Bull. 2018;41(1):132-137.

 Chemical & Physical Properties

Density 1.138g/cm3
Boiling Point 432.8ºC at 760 mmHg
Molecular Formula C16H18O4
Molecular Weight 274.31200
Flash Point 192.2ºC
Exact Mass 274.12100
PSA 48.67000
LogP 3.31890
Index of Refraction 1.547
InChIKey KRQHZFHWEAJPNO-UHFFFAOYSA-N
SMILES COc1cc2oc(=O)ccc2c(OC)c1CC=C(C)C
Storage condition 2-8℃

 Synthetic Route

 ToddaculineBioassay

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Name: Inhibition of human PDE4D2 catalytic domain (86 to 413aa) expressed in Escherichia co...
Source: ChEMBL
Target: cAMP-specific 3',5'-cyclic phosphodiesterase 4D
External Id: CHEMBL3238861
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 Synonyms

Toddaculin
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