Relevant Data

Food Additives Approved in the United States


General Information

Synonyms: STARCH, ROASTED, WHITE AND YELLOW DEXTRINS
Chemical Names: DEXTRINS
CAS number: 9004-53-9
INS:

1400

Functional Class: Food Additives
STABILIZER
THICKENER

From apps.who.int


Evaluations

Evaluation year: 2016
ADI: NOT SPECIFIED
Meeting: 82
Specs Code: R,T
Report: TRS 1000-JECFA 82/83
Specification: FAO JECFA Monographs 19/132

From apps.who.int



GSFA Provisions for DEXTRINS, WHITE AND YELLOW, ROASTED STARCH

Number Food Category Max Level Notes
14.1.5

Coffee, coffee substitutes, tea, herbal infusions, and other hot cereal and grain beverages, excluding cocoa

GMP Note 90,Note 160
09.2.4.1

Cooked fish and fish products

GMP Note 241
06.4.2

Dried pastas and noodles and like products

GMP Note 256
01.2.1.2

Fermented milks (plain), heat-treated after fermentation

GMP Note 234
01.2.1.1

Fermented milks (plain), not heat-treated after fermentation

GMP Note 235,Note 234
09.2.4.3

Fried fish and fish products, including mollusks, crustaceans, and echinoderms

GMP Note 41
09.2.2

Frozen battered fish, fish fillets, and fish products, including mollusks, crustaceans, and echinoderms

GMP Note XS166
09.2.1

Frozen fish, fish fillets, and fish products, including mollusks, crustaceans, and echinoderms

GMP Note XS312,Note XS92,Note XS292,Note XS165,Note 3,Note XS190,Note 53,Note XS315,Note XS95,Note XS191,Note XS36
01.4.2

Sterilized and UHT creams, whipping and whipped creams, and reduced fat creams (plain)

GMP Note 236

From www.fao.org


Computed Descriptors

Download SDF
2D Structure
CID62698
IUPAC Name(3R,4S,5S,6R)-2-[(2R,3S,4R,5R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
InChIInChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,16+,17?,18?/m1/s1
InChI KeyFYGDTMLNYKFZSV-MRCIVHHJSA-N
Canonical SMILESC(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)O)CO)CO)O)O)O)O
Molecular FormulaC18H32O16
WikipediaDextrin

From Pubchem


Computed Properties

Property Name Property Value
Molecular Weight504.438
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count16
Rotatable Bond Count7
Complexity641.0
CACTVS Substructure Key Fingerprint A A A D c f B 4 P g A A A A A A A A A A A A A A A A A A A A A A A A A k S J A A A A A A A A A A A A A A G g A A C A A A C B S w g A M A C A A A B g A A A A A A A A A A A A A A A A A A A A A A A A A R E A I A A A A i Q A A F A A A H A A H A Y A w A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A = =
Topological Polar Surface Area269.0
Monoisotopic Mass504.169
Exact Mass504.169
XLogP3None
XLogP3-AA-6.9
Compound Is CanonicalizedTrue
Formal Charge0
Heavy Atom Count34
Defined Atom Stereocenter Count13
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Isotope Atom Count0
Covalently-Bonded Unit Count1

From Pubchem


Food Additives Biosynthesis/Degradation


ADMET Predicted Profile --- Classification

Model Result Probability
Absorption
Blood-Brain BarrierBBB+0.6207
Human Intestinal AbsorptionHIA-0.8748
Caco-2 PermeabilityCaco2-0.8836
P-glycoprotein SubstrateNon-substrate0.5394
P-glycoprotein InhibitorNon-inhibitor0.7589
Non-inhibitor0.9142
Renal Organic Cation TransporterNon-inhibitor0.8144
Distribution
Subcellular localizationMitochondria0.7116
Metabolism
CYP450 2C9 SubstrateNon-substrate0.8451
CYP450 2D6 SubstrateNon-substrate0.8853
CYP450 3A4 SubstrateNon-substrate0.6580
CYP450 1A2 InhibitorNon-inhibitor0.9610
CYP450 2C9 InhibitorNon-inhibitor0.9376
CYP450 2D6 InhibitorNon-inhibitor0.9399
CYP450 2C19 InhibitorNon-inhibitor0.9083
CYP450 3A4 InhibitorNon-inhibitor0.9645
CYP Inhibitory PromiscuityLow CYP Inhibitory Promiscuity0.8898
Excretion
Toxicity
Human Ether-a-go-go-Related Gene InhibitionWeak inhibitor0.9517
Non-inhibitor0.8283
AMES ToxicityNon AMES toxic0.8628
CarcinogensNon-carcinogens0.9551
Fish ToxicityLow FHMT0.8951
Tetrahymena Pyriformis ToxicityLow TPT0.7547
Honey Bee ToxicityHigh HBT0.6701
BiodegradationNot ready biodegradable0.6632
Acute Oral ToxicityIV0.6266
Carcinogenicity (Three-class)Non-required0.6495

From admetSAR


ADMET Predicted Profile --- Regression

Model Value Unit
Absorption
Aqueous solubility-0.2124LogS
Caco-2 Permeability-0.6854LogPapp, cm/s
Distribution
Metabolism
Excretion
Toxicity
Rat Acute Toxicity1.0242LD50, mol/kg
Fish Toxicity2.2543pLC50, mg/L
Tetrahymena Pyriformis Toxicity-0.4394pIGC50, ug/L

From admetSAR


Taxonomic Classification

KingdomOrganic compounds
SuperclassOrganic oxygen compounds
ClassOrganooxygen compounds
SubclassCarbohydrates and carbohydrate conjugates
Intermediate Tree NodesNot available
Direct ParentOligosaccharides
Alternative Parents
Molecular FrameworkAliphatic heteromonocyclic compounds
SubstituentsOligosaccharide - O-glycosyl compound - Glycosyl compound - Oxane - Secondary alcohol - Hemiacetal - Oxacycle - Organoheterocyclic compound - Polyol - Acetal - Hydrocarbon derivative - Primary alcohol - Alcohol - Aliphatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds.

From ClassyFire