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Forsythoside I

CAT: 0013-GTR19167153-04Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19167153-04Size:10 mg
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Description
Forsythoside I is a caffeoyl phenylethanoid glycoside (CPG) with potential anti-inflammatory properties. This small molecule is used in research to investigate inflammatory pathways in both in vitro cellular assays and in vivo animal models of inflammation.
CAS Number
1177581-50-8
Product Name Alternative
Inhibit, Inhibitor, Forsythoside I
Field of Research
Cell Biology, Immunology & Inflammation, Pharmacology & Drug Discovery, Protein Biochemistry
Purity
97.03% (May vary between batches)
Solubility
DMSO:33.3 mg/mL (53.31 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (3.2 mM) ; H2O:100 mg/mL (160.11 mM)
Smiles
C[C@@H]1O[C@@H] (OC[C@H]2O[C@@H] (OCCc3ccc (O) c (O) c3) [C@H] (O) [C@@H] (OC (=O) \C=C\c3ccc (O) c (O) c3) [C@@H]2O) [C@H] (O) [C@H] (O) [C@H]1O
Molecular Formula
C29H36O15
Molecular Weight
624.59
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Isoforsythiaside

(2R,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-4-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate has been reported in Forsythia viridissima with data available.

CAS Number1177581-50-8
PubChem CID23958169
IUPAC Name[(2R,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-4-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Molecular FormulaC29H36O15
Molecular Weight624.6
XLogP-0.5
Topological Polar Surface Area245
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count15
Rotatable Bond Count11
Heavy Atom Count44
Formal Charge0
Complexity936
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OCCC3=CC(=C(C=C3)O)O)O)OC(=O)/C=C/C4=CC(=C(C=C4)O)O)O)O)O)O
InChI
InChI=1S/C29H36O15/c1-13-22(35)24(37)25(38)28(42-13)41-12-20-23(36)27(44-21(34)7-4-14-2-5-16(30)18(32)10-14)26(39)29(43-20)40-9-8-15-3-6-17(31)19(33)11-15/h2-7,10-11,13,20,22-33,35-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27-,28+,29+/m0/s1
InChIKey
GKRBWXABVALDGQ-GCELSKRESA-N
Chemical Structure
2D Structure
2D structure of Isoforsythiaside
CAS: 1177581-50-8
CID: 23958169
Formula: C29H36O15
MW: 624.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight624.6
XLogP3-0.5
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count15
Rotatable Bond Count11
Exact Mass624.20542044
Monoisotopic Mass624.20542044
Topological Polar Surface Area245 Ų
Heavy Atom Count44
Formal Charge0
Complexity936
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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