List of Other Ref. Standards of Echinacoside on PharmaCompass.com.

Echinacoside

ChemWerth works in generic API development & supply, non-infringement patent strategy development and regulatory support.

ACCESS ALL DATA
Browse all information
CHEMISTRY
Discover Molecule Insights

REF. STANDARDS & IMPURITIES

1 USP , 3 Others

otherSolutions
1 USP
3 Others

Synopsis

ACTIVE PHARMA INGREDIENTS

API Suppliers

USDMF

CEP/COS

JDMF

EU WC

KDMF

NDC API

VMF

Listed Suppliers

API REF. PRICE (USD/KG)

$ 0

MARKET PLACE

API

FDF

0INTERMEDIATES

FINISHED DOSAGE FORMULATIONS

FDF Dossiers

FDA Orange Book

Europe

Canada

Australia

South Africa

Listed Dossiers

0 DRUGS IN DEVELOPMENT

DRUG PRODUCT COMPOSITIONS

REF. STANDARDS OR IMPURITIES

EDQM

USP

Others

PATENTS & EXCLUSIVITIES

US Patents

US Exclusivities

Health Canada Patents

DIGITAL CONTENT

Data Compilation #PharmaFlow

Stock Recap #PipelineProspector

Weekly News Recap #Phispers

News #PharmaBuzz

GLOBAL SALES INFORMATION

US Medicaid (USD)

Annual Reports (USD Million)

Finished Drug Prices

0RELATED EXCIPIENT COMPANIES

0EXCIPIENTS BY APPLICATIONS

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: 82854-37-3, Dsstox_cid_13469, Chebi:4745, I04o1dt48t, [(2r,3r,4r,5r,6r)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (e)-3-(3,4-dihydroxyphenyl)prop-2-enoate, Ac1nqz1q

Molecular Formula

C₃₅H₄₆O₂₀

Molecular Weight

786.7 g/mol

InChI Key

FSBUXLDOLNLABB-ISAKITKMSA-N

FDA UNII

I04O1DT48T

echinacoside is a natural product found in Jasminum mesnyi, Pedicularis plicata, and other organisms with data available.

1 2D Structure

Echinacoside

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

2.1.2 InChI

InChI=1S/C35H46O20/c1-14-24(42)26(44)29(47)35(51-14)55-32-30(48)34(49-9-8-16-3-6-18(38)20(40)11-16)53-22(13-50-33-28(46)27(45)25(43)21(12-36)52-33)31(32)54-23(41)7-4-15-2-5-17(37)19(39)10-15/h2-7,10-11,14,21-22,24-40,42-48H,8-9,12-13H2,1H3/b7-4+/t14-,21+,22+,24-,25+,26+,27-,28+,29+,30+,31+,32+,33+,34+,35-/m0/s1

2.1.3 InChI Key

FSBUXLDOLNLABB-ISAKITKMSA-N

2.1.4 Canonical SMILES

CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)O)COC4C(C(C(C(O4)CO)O)O)O)OCCC5=CC(=C(C=C5)O)O)O)O)O)O

2.1.5 Isomeric SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2OC(=O)/C=C/C3=CC(=C(C=C3)O)O)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OCCC5=CC(=C(C=C5)O)O)O)O)O)O

2.2 Other Identifiers

2.2.1 UNII

I04O1DT48T

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 82854-37-3

2. Dsstox_cid_13469

3. Chebi:4745

4. I04o1dt48t

5. [(2r,3r,4r,5r,6r)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (e)-3-(3,4-dihydroxyphenyl)prop-2-enoate

6. Ac1nqz1q

7. Unii-i04o1dt48t

8. Echinacoside,(s)

9. Mfcd00075695

10. Surecn525502

11. Dsstox_rid_79077

12. Dsstox_gsid_33469

13. Echinacoside [usp-rs]

14. Echinacoside, 98% (hplc)

15. Schembl525502

16. Chembl510539

17. Megxp0_001773

18. Dtxsid0033469

19. Echinacoside, Analytical Standard

20. Hms3885k04

21. Hy-n0020

22. Tox21_200945

23. S3783

24. Zinc85504689

25. Akos015897141

26. Ccg-270479

27. Cs-3400

28. Db15488

29. Ncgc00091915-01

30. Ncgc00091915-02

31. Ncgc00258498-01

32. Ac-34699

33. As-56376

34. Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl O-6-deoxy-alpha-l-mannopyranosyl-(1-3)-o-(beta-d-glucopyranosyl-(1-6))-, 4-(3-(3,4-dihydroxyphenyl)-2-propenoate), Beta-d-

35. Cas-82854-37-3

36. A12039

37. 854e373

38. Q475631

39. Echinacoside, Primary Pharmaceutical Reference Standard

40. Echinacoside, United States Pharmacopeia (usp) Reference Standard

41. (2r,3r,4r,5r,6r)-6-(3,4-dihydroxyphenethoxy)-5-hydroxy-2-((((2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl)oxy)methyl)-4-(((2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyltetrahydro-2h-pyran-2-yl)oxy)tetrahydro-2h-pyran-3-yl 3-(3,4-dihydroxyphenyl)acrylate

42. .beta.-d-glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl O-6-deoxy-.alpha.-l-mannopyranosyl-(1->3)-o-(.beta.-d-glucopyranosyl-(1->6))-, 4-(3-(3,4-dihydroxyphenyl)-2-propenoate)

43. [(2r,3r,4r,5r,6r)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]-4-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl] (e)-3-(3,4-dihydroxyphenyl)prop-2-enoate

44. 2-(3,4-dihydroxyphenyl)ethyl 6-deoxy-alpha-l-mannopyranosyl-(1-3)-[beta-d-glucopyranosyl-(1-6)]-4-o-[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-beta-d-glucopyranoside

45. 3,4-dihydroxyphenethyl 3-o-(alpha-l-rhamnopyranosyl)-4-o-(3,4-dihydroxycinnamoyl)-6-o-(beta-d-glucopyranosyl)-beta-d-glucopyranoside

46. 737806-07-4

47. Echinacoside (ang, Pal) (constituent Of Echinacea Angustifolia Root, Echinacea Pallida Root, Echinacea Purpurea Root And Echinacea Purpurea Aerial Parts) [dsc]

48. Ncgc00091915-03![(2r,3r,4r,5r,6r)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (e)-3-(3,4-dihydroxyphenyl)prop-2-enoate

2.4 Create Date

2005-06-24

3 Chemical and Physical Properties

Molecular Formula	C₃₅H₄₆O₂₀
Molecular Weight	786.7 g/mol
XLogP3	-2.1
Hydrogen Bond Donor Count	12
Hydrogen Bond Acceptor Count	20
Rotatable Bond Count	14
Exact Mass	786.25824385 g/mol
Monoisotopic Mass	786.25824385 g/mol
Topological Polar Surface Area	324 Å²
Heavy Atom Count	55
Formal Charge	0
Complexity	1230
Isotope Atom Count	0
Defined Atom Stereocenter Count	15
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

4 Pharmacology and Biochemistry

4.1 Absorption, Distribution and Excretion

Absorption

Animal studies suggest an oral bioavailability of 0.83%.

4.2 Metabolism/Metabolites

The metabolism of echinacoside has been investigated in rats and is thought to involve catechol O-methyltransferase as well as unspecified UDP-gluc- uronosyltransferases and sulfotransferases. A study of echinacoside's metabolism by human intestinal flora identified 13 metabolites which are produced independantly of human metabolism.

4.3 Mechanism of Action

The neuroprotective effects are thought to be mediated via effects on mitogen-activated protein kinase, nuclear factor kappa-B, caspases 3 and 8, as well as CHOP pathways.

REF. STANDARDS & IMPURITIES

Upload your portfolio for free, ask us