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Taraxerol (Standard)

CAT: 0804-HY-N2477RSize: 1 EachDry Ice: NoHazardous: No
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Description
Taraxerol (Standard) is the analytical standard of Taraxerol. This product is intended for research and analytical applications. Taraxerol is isolated from Taraxacum mongolicum, and has anti-inflammtory and anti-cancer effects. Taraxerol attenuates acute inlammation through inhibition of NF-κB signaling pathway. Taraxerol induces cell apoptosis[1][2].
CAS Number
127-22-0
UNSPSC
12352211
Target
Apoptosis; NF-κB; Reference Standards
Type
Reference Standards
Related Pathways
Apoptosis; NF-κB; Others
Field of Research
Cancer; Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/taraxerol-standard.html
Smiles
C[C@]12C3=CC[C@@](C)(CCC(C)(C)C4)[C@]4([H])[C@@]3(CC[C@]1([H])[C@@]5([C@@](C(C)([C@@H](O)CC5)C)([H])CC2)C)C
Molecular Formula
C30H50O
Molecular Weight
426.72
References & Citations
[1]Yaoi X, et al. Taraxerol Induces Cell Apoptosis through A Mitochondria-Mediated Pathway in HeLa Cells.Cell J. 2017 Oct;19 (3) :512-519.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

Taraxerol

Taraxerol is a pentacyclic triterpenoid that is oleanan-3-ol lacking the methyl group at position 14, with an alpha-methyl substituent at position 13 and a double bond between positions 14 and 15. It has a role as a metabolite. It is a pentacyclic triterpenoid and a secondary alcohol.

CAS Number127-22-0
PubChem CID92097
IUPAC Name(3S,4aR,6aR,6aS,8aR,12aR,14aR,14bR)-4,4,6a,6a,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-ol
Molecular FormulaC30H50O
Molecular Weight426.7
XLogP9.3
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count31
Formal Charge0
Complexity790
SMILES
C[C@]12CCC(C[C@H]1[C@@]3(CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4(C3=CC2)C)(C)C)O)C)C)(C)C
InChI
InChI=1S/C30H50O/c1-25(2)17-18-27(5)13-9-21-29(7)14-10-20-26(3,4)24(31)12-16-28(20,6)22(29)11-15-30(21,8)23(27)19-25/h9,20,22-24,31H,10-19H2,1-8H3/t20-,22+,23+,24-,27-,28-,29-,30+/m0/s1
InChIKey
GGGUGZHBAOMSFJ-GADYQYKKSA-N
Chemical Structure
2D Structure
2D structure of Taraxerol
CAS: 127-22-0
CID: 92097
Formula: C30H50O
MW: 426.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight426.7
XLogP39.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass426.386166214
Monoisotopic Mass426.386166214
Topological Polar Surface Area20.2 Ų
Heavy Atom Count31
Formal Charge0
Complexity790
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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