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Fabiatrin

CAT: 0804-HY-N2285-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N2285-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Fabiatrin is a natural product that can be isolated from Przewalskia tangutica[1].
CAS Number
18309-73-4
UNSPSC
12352005
Target
EGFR
Type
Natural Products
Related Pathways
JAK/STAT Signaling; Protein Tyrosine Kinase/RTK
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/fabiatrin.html
Purity
99.81
Solubility
10 mM in DMSO
Smiles
O=C1C=CC2=CC(OC)=C(O[C@H]3[C@@H]([C@H]([C@@H]([C@@H](CO[C@H]4[C@@H]([C@H]([C@@H](CO4)O)O)O)O3)O)O)O)C=C2O1
Molecular Formula
C21H26O13
Molecular Weight
486.42
References & Citations
[1]Da-Wa ZM, et al. Chemical Constituents from Przewalskia tangutica. Zhong Yao Cai. 2016 Sep;39 (9) :2013-5.|[2]Tan N, Wang Y, Ren L, Tie F, Hu N, Wang H, Dong Q. Network Pharmacology and Molecular Dynamics Simulations Reveal the Mechanism of Total Alkaloid Components in Anisodus Tanguticus (Maxim.) Pascher in Treating Inflammation and Pain. Chem Biodivers. 2025 Jan;22 (1) :e202401199.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Fabiatrin

Fabiatrin has been reported in Physochlaina physaloides and Atractylodes lancea with data available.

CAS Number18309-73-4
PubChem CID10994544
IUPAC Name6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-2-one
Molecular FormulaC21H26O13
Molecular Weight486.4
XLogP-2.4
Topological Polar Surface Area194
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count13
Rotatable Bond Count6
Heavy Atom Count34
Formal Charge0
Complexity733
SMILES
COC1=C(C=C2C(=C1)C=CC(=O)O2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO[C@H]4[C@@H]([C@H]([C@@H](CO4)O)O)O)O)O)O
InChI
InChI=1S/C21H26O13/c1-29-11-4-8-2-3-14(23)32-10(8)5-12(11)33-21-19(28)17(26)16(25)13(34-21)7-31-20-18(27)15(24)9(22)6-30-20/h2-5,9,13,15-22,24-28H,6-7H2,1H3/t9-,13-,15+,16-,17+,18-,19-,20+,21-/m1/s1
InChIKey
AHBJPGDMGKOLJC-OJHUANBKSA-N
Chemical Structure
2D Structure
2D structure of Fabiatrin
CAS: 18309-73-4
CID: 10994544
Formula: C21H26O13
MW: 486.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight486.4
XLogP3-2.4
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count13
Rotatable Bond Count6
Exact Mass486.13734088
Monoisotopic Mass486.13734088
Topological Polar Surface Area194 Ų
Heavy Atom Count34
Formal Charge0
Complexity733
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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