Stevioside (CED0006209)

Record Information

Version

1.0

Creation Date

2016-05-26 00:47:06 UTC

Update Date

2026-05-14 20:00:09 UTC

Accession Number

CHEM028903

Identification

Common Name

Stevioside

Class

Small Molecule

Description

Stevioside is a chemical compound with the molecular formula C38H60O18. Stevioside belongs to the terpene glycosides, a subclass of prenol lipids within the organic compounds. With an average molecular weight of 804.87 g/mol, Stevioside is a heavy molecule. In industrial applications, this compound is utilized as a deodorizer. It is identified in 17 recorded sources across several diverse sectors. Within food, food processing and cookware, it is found in the preparation of vinegar, the preparation of malt, the preparation of wine or sparkling wine, molasses and treatment of molasses, agglomerated sugar products, and four additional sources. Its presence is also noted in household cleaning and consumer products, specifically in tobacco product cases, tobacco pipes, pipe accessories, and other smoking requisites. Furthermore, Stevioside is associated with electrical and electronic equipment, including television systems, superconducting magnets and superconducting coils, and auxiliary devices. In the field of building and construction, the compound is found in fencing.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Diterpene glycoside	HMDB
Eupatorin?	HMDB
Rebaudin	HMDB
Stevin?	HMDB
Steviosin	HMDB
3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl 13-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylic acid	Generator
Stevioside	MeSH
Steviol glycoside	MeSH

Chemical Formula

C₃₈H₆₀O₁₈

Average Molecular Mass

804.872 g/mol

Monoisotopic Mass

804.378 g/mol

CAS Registry Number

57817-89-7

IUPAC Name

3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 13-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylate

Traditional Name

stevioside

SMILES

CC12CCCC(C)(C1CCC13CC(=C)C(C1)(CCC23)OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)C(=O)OC1OC(CO)C(O)C(O)C1O

InChI Identifier

InChI=1S/C38H60O18/c1-16-11-37-9-5-20-35(2,7-4-8-36(20,3)34(50)55-32-29(49)26(46)23(43)18(13-40)52-32)21(37)6-10-38(16,15-37)56-33-30(27(47)24(44)19(14-41)53-33)54-31-28(48)25(45)22(42)17(12-39)51-31/h17-33,39-49H,1,4-15H2,2-3H3

InChI Key

UEDUENGHJMELGK-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as steviol glycosides. These are prenol lipids containing a carbohydrate moiety glycosidically linked to a steviol (a diterpenoid based on a 13-Hydroxykaur-16-en-18-oic acid) moiety.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Terpene glycosides

Direct Parent

Steviol glycosides

Alternative Parents

Substituents

Steviol glycoside
Diterpenoid
Kaurane diterpenoid
Fatty acyl glycoside
Fatty acyl glycoside of mono- or disaccharide
Disaccharide
Glycosyl compound
O-glycosyl compound
Oxane
Fatty acyl
Secondary alcohol
Carboxylic acid ester
Organoheterocyclic compound
Polyol
Oxacycle
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Acetal
Primary alcohol
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Alcohol
Carbonyl group
Organooxygen compound
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic compounds

External Descriptors

Not Available

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
Water Solubility	4.51 g/L	ALOGPS
logP	-1.2	ALOGPS
logP	-2.2	ChemAxon
logS	-2.2	ALOGPS
pKa (Strongest Acidic)	11.84	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	17	ChemAxon
Hydrogen Donor Count	11	ChemAxon
Polar Surface Area	294.98 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	186.15 m³·mol⁻¹	ChemAxon
Polarizability	83.95 Å³	ChemAxon
Number of Rings	7	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-01tc-0103809210-618c8917bf91bf14e0da	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-040r-0104904000-6810fe906f79bdcb23c6	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-02w9-0415902100-c4cc22c8df7fa9e745e6	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0fic-1402569430-00c6ad06eb887c4431b8	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-01t9-1911715300-ccd331e4189584049205	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-004i-4901410000-d567568eafd4a9c77616	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
261.0	Log mg/kg	[150:460]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
496	Fencing	Building & Construction	Not Available
507	Auxiliary Devices	Electrical & Electronic Equipment	Not Available
535	Superconducting Magnets And Superconducting Coils	Electrical & Electronic Equipment	Not Available
537	Television Systems	Electrical & Electronic Equipment	Not Available
541	Agglomerated Sugar Products	Food, food processing & cookware	Not Available
546	Molasses And Treatment Of Molasses	Food, food processing & cookware	Not Available
547	Preparation Of Malt	Food, food processing & cookware	Not Available
548	Preparation Of Vinegar	Food, food processing & cookware	Not Available
549	Preparation Of Wine Or Sparkling Wine	Food, food processing & cookware	Not Available
550	Preparation Of Wort	Food, food processing & cookware	Not Available
551	Processing Fish	Food, food processing & cookware	Not Available
552	Processing Meats	Food, food processing & cookware	Not Available
553	Treatment Of Hops	Food, food processing & cookware	Not Available
560	Other Smoking Requisites	Household cleaning & consumer products	Not Available
562	Pipe Accessories	Household cleaning & consumer products	Not Available
566	Tobacco Pipes	Household cleaning & consumer products	Not Available
567	Tobacco Product Cases	Household cleaning & consumer products	Not Available
578	Making Cigars	Industrial manufacturing & chemical processing	Not Available
612	Body Washing Or Cleaning Implements	Personal care & cosmetics	Not Available

Pathways

0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 1	P54751	Mus musculus	Predicted (SEA)	2.17978
Click to view 3D structure	Endo-beta-N-acetylglucosaminidase	Q9ZB22	Arthrobacter protophormiae	Predicted (SEA)	1.01204
Click to view 3D structure	CD44 antigen	P16070	Humans	Predicted (SEA)	1.79053
Click to view 3D structure	CD44 antigen	P15379	Mus musculus	Predicted (SEA)	1.79053
Click to view 3D structure	Coagulation factor X	P00742	Humans	Predicted (SEA)	432.608
Click to view 3D structure	N-acetyllactosaminide alpha-1,3-galactosyltransferase	P50127	Sus scrofa	Predicted (SEA)	4.67095
Click to view 3D structure	Solute carrier organic anion transporter family member 1B2	Q9QZX8	Rattus norvegicus	Predicted (SEA)	3.89246
Click to view 3D structure	Killer cell lectin-like receptor subfamily B member 1A	P27471	Rattus norvegicus	Predicted (SEA)	2.80257
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 1	P18031	Humans	Predicted (SEA)	484.611
Click to view 3D structure	Galectin-3	P17931	Humans	Predicted (SEA)	16.6597
Click to view 3D structure	Gap junction beta-2 protein	P29033	Humans	Predicted (SEA)	3.03612
Click to view 3D structure	Lectin	B4EH87	Burkholderia cenocepacia (strain ATCC BAA-245 / DSM 16553 / LMG 16656/ NCTC 13227 / J2315 / CF5610) (Burkholderia cepacia (strain J2315))	Predicted (SEA)	13.0008
Click to view 3D structure	Type 1 fimbrin D-mannose specific adhesin	P08191	Escherichia coli K-12	Predicted (SEA)	14.7135
Click to view 3D structure	Alpha-amylase	Q7M328	Sus scrofa domesticus	Predicted (SEA)	2.41333
Click to view 3D structure	E-selectin	P98105	Rattus norvegicus	Predicted (SEA)	3.19182
Click to view 3D structure	Hemagglutinin	B4URE7	Influenza A virus	Predicted (SEA)	5.91654
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 2	P17706	Humans	Predicted (SEA)	383.485
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	2217.77
Click to view 3D structure	Coagulation factor XI	P03951	Humans	Predicted (SEA)	1113.79
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	2200.1
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	2967.53
Click to view 3D structure	Urokinase-type plasminogen activator	P00749	Humans	Predicted (SEA)	1706.92
Click to view 3D structure	Galectin-9	O00182	Humans	Predicted (SEA)	35.4992
Click to view 3D structure	FUN14 domain-containing protein 1	Q8IVP5	Humans	Predicted (SEA)	7.47353
Click to view 3D structure	Tissue-type plasminogen activator	P00750	Humans	Predicted (SEA)	1736.82