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Schiarisanrin A

CAT: 0804-HY-N11945-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N11945-01Size:1 mg
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Description
Schiarisanrin A (Kadsulignan J) is a lignan with inhibitory activity on NO production. Schiarisanrin A inhibits NO production in BV-2 cells with an IC50 of 9.6 μM[1].
CAS Number
130252-41-4
Product Name Alternative
Kadsulignan J
UNSPSC
12352005
Target
NO Synthase
Type
Natural Products
Related Pathways
Immunology/Inflammation
Applications
COVID-19-immunoregulation
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/schiarisanrin-a.html
Solubility
10 mM in DMSO
Smiles
O=C1[C@@]23C4=C([C@@H]([C@@H]([C@@H](CC3=CC(OC)=C1OC)C)C)OC([C@@H](C)CC)=O)C=C(OCO5)C5=C4OC2
Molecular Formula
C27H32O8
Molecular Weight
484.54
References & Citations
[1]Fang L, et al. Lignans from the roots of Kadsura coccinea and their inhibitory activities on LPS-induced NO production[J]. Phytochemistry Letters, 2014, 9: 158-162.|[2]Fang L. et al. Lignans from the roots of Kadsura coccinea and their inhibitory activities on LPS-induced NO production[J]. Phytochemistry Letters, 2014, 9: 158-162.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Schiarisanrin A

KadsulignanJ has been reported in Kadsura with data available.

CAS Number130252-41-4
PubChem CID145709656
IUPAC Name[(1S,12R,13R,14R)-18,19-dimethoxy-13,14-dimethyl-20-oxo-3,6,8-trioxapentacyclo[9.9.1.01,16.04,21.05,9]henicosa-4(21),5(9),10,16,18-pentaen-12-yl] (2S)-2-methylbutanoate
Molecular FormulaC27H32O8
Molecular Weight484.5
XLogP4.3
Topological Polar Surface Area89.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count35
Formal Charge0
Complexity939
SMILES
CC[C@H](C)C(=O)O[C@@H]1[C@@H]([C@@H](CC2=CC(=C(C(=O)[C@@]23COC4=C3C1=CC5=C4OCO5)OC)OC)C)C
InChI
InChI=1S/C27H32O8/c1-7-13(2)26(29)35-21-15(4)14(3)8-16-9-18(30-5)23(31-6)25(28)27(16)11-32-24-20(27)17(21)10-19-22(24)34-12-33-19/h9-10,13-15,21H,7-8,11-12H2,1-6H3/t13-,14+,15+,21+,27-/m0/s1
InChIKey
JHTGXHCLRHKLER-ZPNZURAVSA-N
Chemical Structure
2D Structure
2D structure of Schiarisanrin A
CAS: 130252-41-4
CID: 145709656
Formula: C27H32O8
MW: 484.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight484.5
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass484.20971797
Monoisotopic Mass484.20971797
Topological Polar Surface Area89.5 Ų
Heavy Atom Count35
Formal Charge0
Complexity939
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T79955-01Schiarisanrin A
TN7782-01Schiarisanrin B
GTR19219266-01Schiarisanrin E
T81196-01Schiarisanrin C
TN7960-01(-) -Schiarisanrin D

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