Withanone

CAT: 0804-HY-129692-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-129692-02Size:5 mg

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Description

Withanone is an active ingredient from the roots of Withania somnifera and a GRP75 inhibitor. Withanone has multifunctional neuroprotective effects in alleviating cognitive dysfunction. In neuron-like cells, Withanone can inhibit NMDA-induced excitotoxicity. Withanone can inhibit white adipose tissue browning by blocking the formation of the GRP75-ANT2-UCP1 complex, thereby alleviating cancer-related cachexia. Withanone can be used in the research of tumors and nervous system diseases[1][2][3].

CAS Number

27570-38-3

UNSPSC

12352005

Target

IGluR

Type

Natural Products

Related Pathways

Membrane Transporter/Ion Channel; Neuronal Signaling

Applications

Neuroscience-Neurodegeneration

Field of Research

Cancer; Neurological Disease

Assay Protocol

https://www.medchemexpress.com/withanone.html

Purity

93.28

Solubility

10 mM in DMSO

Smiles

C[C@@]12[C@]3([H])[C@]([C@H](O4)[C@H]4[C@]1(CC=CC2=O)O)([H])[C@@]5([H])[C@@](C)([C@]([C@@H]([C@@](O6)([H])CC(C)=C(C)C6=O)C)(O)CC5)CC3

Molecular Formula

C28H38O6

Molecular Weight

470.60

References & Citations

[1]Pandey A, et al. Multifunctional neuroprotective effect of Withanone, a compound from Withania somnifera roots in alleviating cognitive dysfunction. Cytokine. 2018 Feb;102:211-221.|[2]Dar NJ, et al. Withanone, an Active Constituent from Withania somnifera, Affords Protection Against NMDA-Induced Excitotoxicity in Neuron-Like Cells. Mol Neurobiol. 2017 Sep;54 (7) :5061-5073.|[3]Chen X, et al. GRP75 triggers white adipose tissue browning to promote cancer-associated cachexia. Signal Transduct Target Ther. 2024 Sep 26;9 (1) :253.

Shipping Conditions

Room Temperature

Storage Conditions

-20°C, 3 years; 4°C, 2 years (Powder)

Scientific Category

Natural Products

Clinical Information

No Development Reported

Isoform

NMDA Receptor

Chemical Information

Withanone

Withanone is a steroid lactone.

CAS Number	27570-38-3
PubChem CID	21679027
IUPAC Name	(1S,2S,4S,5R,10R,11S,14S,15S,18S)-15-[(1R)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-5,15-dihydroxy-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-7-en-9-one
Molecular Formula	C28H38O6
Molecular Weight	470.6
XLogP	3.1
Topological Polar Surface Area	96.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Heavy Atom Count	34
Formal Charge	0
Complexity	1030

SMILES

CC1=C(C(=O)O[C@H](C1)[C@@H](C)[C@]2(CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3[C@H]5[C@H](O5)[C@@]6([C@@]4(C(=O)C=CC6)C)O)C)O)C

InChI

InChI=1S/C28H38O6/c1-14-13-19(33-24(30)15(14)2)16(3)27(31)12-9-17-21-18(8-11-25(17,27)4)26(5)20(29)7-6-10-28(26,32)23-22(21)34-23/h6-7,16-19,21-23,31-32H,8-13H2,1-5H3/t16-,17+,18+,19-,21+,22+,23+,25+,26+,27+,28+/m1/s1

InChIKey

FAZIYUIDUNHZRG-PCTWTJKKSA-N

Chemical Structure

2D Structure

CAS: 27570-38-3

CID: 21679027

Formula: C28H38O6

MW: 470.6

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	470.6
XLogP3	3.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	470.26683893
Monoisotopic Mass	470.26683893
Topological Polar Surface Area	96.4 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	1030
Isotope Atom Count	0
Defined Atom Stereocenter Count	11
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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CBA57038-01	Withanone

Withanone

Chemical Information

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