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Also known as: 8-gingerol, 23513-08-8, [8]-gingerol, (5s)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one, (s)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-dodecanone, Lb0ijb138k

Molecular Formula

C₁₉H₃₀O₄

Molecular Weight

322.4 g/mol

InChI Key

BCIWKKMTBRYQJU-INIZCTEOSA-N

FDA UNII

LB0IJB138K

(8)-gingerol is a natural product found in Zingiber officinale with data available.

1 2D Structure

8-Gingerol

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one

2.1.2 InChI

InChI=1S/C19H30O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h10,12-13,16,20,22H,3-9,11,14H2,1-2H3/t16-/m0/s1

2.1.3 InChI Key

BCIWKKMTBRYQJU-INIZCTEOSA-N

2.1.4 Canonical SMILES

CCCCCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)O

2.1.5 Isomeric SMILES

CCCCCCC[C@@H](CC(=O)CCC1=CC(=C(C=C1)O)OC)O

2.2 Other Identifiers

2.2.1 UNII

LB0IJB138K

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 8-gingerol

2.3.2 Depositor-Supplied Synonyms

1. 8-gingerol

2. 23513-08-8

3. [8]-gingerol

4. (5s)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one

5. (s)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-dodecanone

6. Lb0ijb138k

7. (s)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one

8. Chembl1095671

9. Chebi:81133

10. Unii-lb0ijb138k

11. Mfcd00877794

12. (s)-(+)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-dodecanone

13. 3-dodecanone, 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-, (s)-(+)-

14. Schembl16488703

15. Dtxsid20178078

16. Hms3887a05

17. [8]-gingerol, Analytical Standard

18. Hy-n0447

19. Zinc1537498

20. Bdbm50317426

21. S9434

22. [8]-gingerol, >=95% (hplc)

23. Akos025311538

24. Ccg-267732

25. Ac-34322

26. As-71132

27. Cs-0008980

28. N1448

29. 3,3-dimethoxyestr-5(10)-ene-17bol

30. A14476

31. C17495

32. 462g352

33. 8-gingerol (constituent Of Ginger) [dsc]

34. Q-100299

35. Q27155091

36. (5s)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl) Dodecan-3-one

37. 3-dodecanone, 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-, (5s)-

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₃₀O₄
Molecular Weight	322.4 g/mol
XLogP3	4.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	12
Exact Mass	322.21440943 g/mol
Monoisotopic Mass	322.21440943 g/mol
Topological Polar Surface Area	66.8 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	319
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1