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Jaceidin triacetate

CAT: 0804-HY-N3445Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-N3445Size:1 Each
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Description
Jaceidin triacetate (compound 54) is a natural compound isolated formmarulabark.Jaceidin triacetatecan inhibitSARS-CoV-2 Mpro, with theIC50of 11.9μM.Jaceidin triacetateinhibits the replication of Sars-Cov-2 Viral in Vero-E6 cells[1][2].
CAS Number
14397-69-4
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
SARS-CoV
Type
Natural Products
Related Pathways
Anti-infection
Applications
COVID-19-anti-virus
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/jaceidin-triacetate.html
Solubility
10 mM in DMSO
Smiles
CC(OC1=C2C(OC(C3=CC(OC)=C(OC(C)=O)C=C3)=C(OC)C2=O)=CC(OC(C)=O)=C1OC)=O
Molecular Formula
C24H22O11
Molecular Weight
486.42
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]Cádiz-Gurrea ML, et al. Enhancing the Yield of Bioactive Compounds from Sclerocarya birrea Bark by Green Extraction Approaches. Molecules. 2019;24 (5) :966.|[2]Moua Yang, et al. Inhibition of Sars-Cov-2 Viral Replication and In Vivo Thrombus Formation By a Novel Plant Flavonoid. Blood. Volume 138, Supplement 1, 23 November 2021, Page 3144
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Jaceidin triacetate
CAS Number14397-69-4
PubChem CID634981
IUPAC Name[4-(5,7-diacetyloxy-3,6-dimethoxy-4-oxochromen-2-yl)-2-methoxyphenyl] acetate
Molecular FormulaC24H22O11
Molecular Weight486.4
XLogP2.6
Topological Polar Surface Area133
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count10
Heavy Atom Count35
Formal Charge0
Complexity866
SMILES
CC(=O)OC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC(=O)C)OC)OC(=O)C)OC)OC
InChI
InChI=1S/C24H22O11/c1-11(25)32-15-8-7-14(9-16(15)29-4)21-24(31-6)20(28)19-17(35-21)10-18(33-12(2)26)22(30-5)23(19)34-13(3)27/h7-10H,1-6H3
InChIKey
DGHDHYGZDLRGBT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Jaceidin triacetate
CAS: 14397-69-4
CID: 634981
Formula: C24H22O11
MW: 486.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight486.4
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count10
Exact Mass486.11621151
Monoisotopic Mass486.11621151
Topological Polar Surface Area133 Ų
Heavy Atom Count35
Formal Charge0
Complexity866
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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