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Xeniafaraunol A

CAT: 0804-HY-149999Size: InquireDry Ice: NoHazardous: No
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CAS Number
161162-29-4
UNSPSC Description
Xeniafaraunol A (compound 31) is a potent transient receptor potential melastatin 7 (TRPM7) inhibitor[1].
Target Antigen
TRP Channel
Type
Natural Products
Related Pathways
Membrane Transporter/Ion Channel;Neuronal Signaling
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/xeniafaraunol-a.html
Solubility
10 mM in DMSO
Smiles
O=CC1=C[C@@H](/C=C(C)/C)[C@H](O)[C@]2([H])[C@]1([H])CC/C(C)=C/CCC2=C
Molecular Weight
300.44
References & Citations
[1]Steinborn C, et al. Total Syntheses of (+)-Waixenicin A, (+)-9-Deacetoxy-14,15-deepoxyxeniculin, and (-)-Xeniafaraunol A. J Am Chem Soc. 2023 May 31;145(21):11811-11817.
Shipping Conditions
Room temperature
Clinical Information
No Development Reported

Chemical Information

Xeniafaraunol A
CAS Number161162-29-4
PubChem CID10402563
IUPAC Name(1S,2R,4aS,7E,11aR)-1-hydroxy-7-methyl-11-methylidene-2-(2-methylprop-1-enyl)-1,2,4a,5,6,9,10,11a-octahydrobenzo[9]annulene-4-carbaldehyde
Molecular FormulaC20H28O2
Molecular Weight300.4
XLogP3.6
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count22
Formal Charge0
Complexity532
SMILES
C/C/1=C\CCC(=C)[C@H]2[C@H](CC1)C(=C[C@H]([C@@H]2O)C=C(C)C)C=O
InChI
InChI=1S/C20H28O2/c1-13(2)10-16-11-17(12-21)18-9-8-14(3)6-5-7-15(4)19(18)20(16)22/h6,10-12,16,18-20,22H,4-5,7-9H2,1-3H3/b14-6+/t16-,18-,19+,20+/m1/s1
InChIKey
WGIBCPUMAZHVMA-WZSRSYCDSA-N
Chemical Structure
2D Structure
2D structure of Xeniafaraunol A
CAS: 161162-29-4
CID: 10402563
Formula: C20H28O2
MW: 300.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight300.4
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass300.208930132
Monoisotopic Mass300.208930132
Topological Polar Surface Area37.3 Ų
Heavy Atom Count22
Formal Charge0
Complexity532
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T78981-01Xeniafaraunol A

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