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Home Other Building Blocks 1-Propanone, 1-[4-[[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2,6-dihydroxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)-

1-Propanone, 1-[4-[[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2,6-dihydroxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)-

CAS No.:
20702-77-6
Catalog Number:
AG002ITV
Molecular Formula:
C28H36O15
Molecular Weight:
612.5764
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$33
- +
5g
98%
In Stock USA
United States
$54
- +
25g
98%
In Stock USA
United States
$158
- +
100g
98%
In Stock USA
United States
$519
- +
250g
98%
In Stock USA
United States
$985
- +
Product Description
Catalog Number:
AG002ITV
Chemical Name:
1-Propanone, 1-[4-[[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2,6-dihydroxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)-
CAS Number:
20702-77-6
Molecular Formula:
C28H36O15
Molecular Weight:
612.5764
MDL Number:
MFCD03840557
IUPAC Name:
1-[4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,6-dihydroxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)propan-1-one
InChI:
InChI=1S/C28H36O15/c1-11-21(34)23(36)25(38)27(40-11)43-26-24(37)22(35)19(10-29)42-28(26)41-13-8-16(32)20(17(33)9-13)14(30)5-3-12-4-6-18(39-2)15(31)7-12/h4,6-9,11,19,21-29,31-38H,3,5,10H2,1-2H3/t11-,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1
InChI Key:
ITVGXXMINPYUHD-CUVHLRMHSA-N
SMILES:
OC[C@H]1O[C@@H](Oc2cc(O)c(c(c2)O)C(=O)CCc2ccc(c(c2)O)OC)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O
EC Number:
243-978-6
UNII:
3X476D83QV
FEMA Number:
3811
Properties
Complexity:
882  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
10  
Defined Bond Stereocenter Count:
0
Exact Mass:
612.205g/mol
Formal Charge:
0
Heavy Atom Count:
43  
Hydrogen Bond Acceptor Count:
15  
Hydrogen Bond Donor Count:
9  
Isotope Atom Count:
0
Molecular Weight:
612.581g/mol
Monoisotopic Mass:
612.205g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
245A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Literature
Title Journal
Protective effects of neohesperidin dihydrochalcone against carbon tetrachloride-induced oxidative damage in vivo and in vitro. Chemico-biological interactions 20140425
Expression of Na+/glucose co-transporter 1 (SGLT1) is enhanced by supplementation of the diet of weaning piglets with artificial sweeteners. The British journal of nutrition 20100901
Positive allosteric modulators of the human sweet taste receptor enhance sweet taste. Proceedings of the National Academy of Sciences of the United States of America 20100309
Antioxidant properties of neohesperidin dihydrochalcone: inhibition of hypochlorous acid-induced DNA strand breakage, protein degradation, and cell death. Biological & pharmaceutical bulletin 20070201
The binding site for neohesperidin dihydrochalcone at the human sweet taste receptor. BMC structural biology 20070101
Metabolic engineering of plant cells for biotransformation of hesperedin into neohesperidin, a substrate for production of the low-calorie sweetener and flavor enhancer NHDC. Journal of agricultural and food chemistry 20051214
Degradation of neohesperidin dihydrochalcone by human intestinal bacteria. Journal of agricultural and food chemistry 20050309
Crystal architecture and conformational properties of the inclusion complex, neohesperidin dihydrochalcone-cyclomaltoheptaose (beta-cyclodextrin), by X-ray diffraction. Carbohydrate research 20040823
Embryotoxicity and teratogenicity study with neohesperidin dihydrochalcone in rats. Regulatory toxicology and pharmacology : RTP 20040801
Some sweet and bitter tastants stimulate inhibitory pathway of adenylyl cyclase via melatonin and alpha 2-adrenergic receptors in Xenopus laevis melanophores. American journal of physiology. Cell physiology 20031101
[Determination of neohesperidin dihydrochalcone in foods]. Shokuhin eiseigaku zasshi. Journal of the Food Hygienic Society of Japan 20010201
PROP (6-n-Propylthiouracil) tasting and sensory responses to caffeine,sucrose, neohesperidin dihydrochalcone and chocolate. Chemical senses 20010101
Improved water solubility of neohesperidin dihydrochalcone in sweetener blends. Journal of agricultural and food chemistry 20010101
Screening for new compounds with antiherpes activity. Antiviral research 19841001
Properties