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Paederosidic acid

CAT: 0804-HY-N6998-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N6998-01Size:5 mg
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Description
Paederosidic acid is isolated from P. scandens with anticancer and anti-inflammation activities. Paederosidic acid inhibits lung caner cells via inducing mitochondria-mediated apoptosis[1].
CAS Number
18842-98-3
UNSPSC
12352005
Target
Apoptosis
Type
Natural Products
Related Pathways
Apoptosis
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/paederosidic-acid.html
Purity
99.90
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
OC[C@H]([C@@H](O)[C@H](O)[C@H]1O)O[C@@]1([H])O[C@H]2[C@@]3([H])[C@@]([C@@H](O)C=C3COC(SC)=O)([H])C(C(O)=O)=CO2
Molecular Formula
C18H24O12S
Molecular Weight
464.44
References & Citations
[1]Yu P, et al. Antitumor activity of paederosidic acid in human non-small cell lung cancer cells via inducing mitochondria-mediated apoptosis.Chem Biol Interact. 2017 May 1;269:33-40.|[2]Chen YF, et al. Possible mechanism involved in the antinociceptive activity of dimer of paederosidic acid and paederosidic acid methyl ester in mice.CNS Neurosci Ther. 2014 Feb;20 (2) :188-90.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Paederosidic Acid

Paederosidic acid has been reported in Paederia scandens, Paederia foetida, and Plocama calabrica with data available.

CAS Number18842-98-3
PubChem CID21592249
IUPAC Name(1S,4aS,5S,7aS)-5-hydroxy-7-(methylsulfanylcarbonyloxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid
Molecular FormulaC18H24O12S
Molecular Weight464.4
XLogP-2.3
Topological Polar Surface Area218
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count13
Rotatable Bond Count8
Heavy Atom Count31
Formal Charge0
Complexity754
SMILES
CSC(=O)OCC1=C[C@@H]([C@H]2[C@@H]1[C@@H](OC=C2C(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O
InChI
InChI=1S/C18H24O12S/c1-31-18(26)28-4-6-2-8(20)11-7(15(24)25)5-27-16(10(6)11)30-17-14(23)13(22)12(21)9(3-19)29-17/h2,5,8-14,16-17,19-23H,3-4H2,1H3,(H,24,25)/t8-,9+,10+,11-,12+,13-,14+,16-,17-/m0/s1
InChIKey
ICTKKPLVSHVNDV-FCVLBCLDSA-N
Chemical Structure
2D Structure
2D structure of Paederosidic Acid
CAS: 18842-98-3
CID: 21592249
Formula: C18H24O12S
MW: 464.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight464.4
XLogP3-2.3
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count13
Rotatable Bond Count8
Exact Mass464.09884737
Monoisotopic Mass464.09884737
Topological Polar Surface Area218 Ų
Heavy Atom Count31
Formal Charge0
Complexity754
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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