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Crocin II (Standard)

CAT: 0804-HY-N0698RSize: 1 EachDry Ice: NoHazardous: No
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Description
Crocin II (Standard) is the analytical standard of Crocin II. This product is intended for research and analytical applications. Crocin II is isolated from the fruit of Gardenia jasminoides with antioxidant, anticancer, and antidepressant activity. Crocin II inhibits NO production with an IC50 value of 31.1 μM. Crocin II suppresses the expressions of protein and m-RNA of iNOS and COX-2[1].
CAS Number
55750-84-0
UNSPSC
12352005
Target
COX; Endogenous Metabolite; NO Synthase; Reference Standards
Type
Reference Standards
Related Pathways
Immunology/Inflammation; Metabolic Enzyme/Protease; Others
Field of Research
Cancer; Inflammation/Immunology; Neurological Disease
Assay Protocol
https://www.medchemexpress.com/crocin-ii-standard.html
Smiles
O[C@@H]([C@H](O)[C@H]1O)[C@H](O[C@H]1OC(/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C(O[C@@H]([C@@H]([C@@H](O)[C@@H]2O)O)O[C@@H]2CO)=O)=O)CO[C@@H]([C@@H]([C@@H](O)[C@@H]3O)O)O[C@@H]3CO
Molecular Formula
C38H54O19
Molecular Weight
814.82
References & Citations
[1]Hong YJ, et al. Anti-inflammatory activities of crocetin derivatives from processed Gardenia jasminoides. Arch Pharm Res. 2013 Aug;36 (8) :933-40.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

Crocin 2

Beta-D-gentiobiosyl beta-D-glucosyl crocetin is a diester resulting from the formal condensation of the carboxylic acid group of beta-D-gentiobiosyl crocetin with the anomeric hydroxy group of beta-D-glucopyranose. It is a beta-D-glucoside and a diester.

CAS Number55750-84-0
PubChem CID9940690
IUPAC Name1-O-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 16-O-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate
Molecular FormulaC38H54O19
Molecular Weight814.8
XLogP-0.3
Topological Polar Surface Area312
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count19
Rotatable Bond Count17
Heavy Atom Count57
Formal Charge0
Complexity1550
SMILES
C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)/C=C/C=C(\C)/C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI
InChI=1S/C38H54O19/c1-18(11-7-13-20(3)34(50)56-37-32(48)29(45)26(42)23(16-40)54-37)9-5-6-10-19(2)12-8-14-21(4)35(51)57-38-33(49)30(46)27(43)24(55-38)17-52-36-31(47)28(44)25(41)22(15-39)53-36/h5-14,22-33,36-49H,15-17H2,1-4H3/b6-5+,11-7+,12-8+,18-9+,19-10+,20-13+,21-14+/t22-,23-,24-,25-,26-,27-,28+,29+,30+,31-,32-,33-,36-,37+,38+/m1/s1
InChIKey
CZSBHMFVVLYIQQ-DRVLGOCHSA-N
Chemical Structure
2D Structure
2D structure of Crocin 2
CAS: 55750-84-0
CID: 9940690
Formula: C38H54O19
MW: 814.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight814.8
XLogP3-0.3
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count19
Rotatable Bond Count17
Exact Mass814.32592949
Monoisotopic Mass814.32592949
Topological Polar Surface Area312 Ų
Heavy Atom Count57
Formal Charge0
Complexity1550
Isotope Atom Count0
Defined Atom Stereocenter Count15
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count7
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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