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Chemistry

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Also known as: 25654-31-3, 2-[(2e)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene-1,3-diol, Chembl497318, Chebi:69477, Cannabigerol (cbg), J1k406072n

Molecular Formula

C₂₁H₃₂O₂

Molecular Weight

316.5 g/mol

InChI Key

QXACEHWTBCFNSA-SFQUDFHCSA-N

FDA UNII

J1K406072N

cannabigerol is a natural product found in Cannabis sativa and Helichrysum umbraculigerum with data available.

1 2D Structure

Cannabigerol

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene-1,3-diol

2.1.2 InChI

InChI=1S/C21H32O2/c1-5-6-7-11-18-14-20(22)19(21(23)15-18)13-12-17(4)10-8-9-16(2)3/h9,12,14-15,22-23H,5-8,10-11,13H2,1-4H3/b17-12+

2.1.3 InChI Key

QXACEHWTBCFNSA-SFQUDFHCSA-N

2.1.4 Canonical SMILES

CCCCCC1=CC(=C(C(=C1)O)CC=C(C)CCC=C(C)C)O

2.1.5 Isomeric SMILES

CCCCCC1=CC(=C(C(=C1)O)C/C=C(\C)/CCC=C(C)C)O

2.2 Other Identifiers

2.2.1 UNII

J1K406072N

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 25654-31-3

2. 2-[(2e)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene-1,3-diol

3. Chembl497318

4. Chebi:69477

5. Cannabigerol (cbg)

6. J1k406072n

7. 2808-33-5

8. Cbg

9. 1,3-benzenediol, 2-(3,7-dimethyl-2,6-octadienyl)-5-pentyl-, (e)-

10. Geranylolivetol

11. Unii-j1k406072n

12. Schembl144819

13. Schembl14764730

14. Gtpl11094

15. Resorcinol, 2-(3,7-dimethyl-2,6-octadienyl)-5-pentyl-

16. Dtxsid701014168

17. (e)-2-(3,7-dimethyl-2,6-octadienyl)-5-pentyl-1,3-benzenediol

18. 1,3-benzenediol, 2-(3,7-dimethyl-2,6-octadienyl)-5-pentyl-

19. Bcp23754

20. Ex-a5335

21. Zinc4217650

22. Bdbm50318487

23. Akos024457386

24. Db14734

25. Cannabigerol (1.0 Mg/ml In Methanol)

26. C20219

27. Cannabigerol (cbg) 100 Microg/ml In Methanol

28. F70893

29. Cannabigerol (cbg) 1000 Microg/ml In Methanol

30. Cannabigerol (cbg) 250 Microg/ml In Acetonitrile

31. Q412122

32. 2-(3,7-dimethyl-2,6-octadienyl)-5-pentylresorcinol

33. (e)-2-(3,7-dimethyl-2,6-octadienyl)-5-pentyl-resorcinol

34. 2-[(2e)-3,7-dimethyl-2,6-octadienyl)-5-pentyl-1,3-benzenediol

35. 2-[(2e)-3,7-dimethylocta-2,6-dienyl]-5-pentyl-benzene-1,3-diol

36. (e)-2-(3,7-dimethylocta-2,6-dien-1-yl)-5-pentylbenzene-1,3-diol

37. 2-[(2e)-3,7-dimethyl-2,6-octadienyl]-5-pentyl-1,3-benzenediol #

38. 2-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-5-pentylbenzene-1,3-diol

39. Resorcinol, 2-(3,7-dimethyl-2,6-octadienyl)-5-pentyl-, (e)-

40. 1,3-benzenediol, 2-((2e)-3,7-dimethyl-2,6-octadien-1-yl)-5-pentyl-

41. Cannabigerol Solution, 1.0 Mg/ml In Methanol, Ampule Of 1 Ml, Certified Reference Material

2.4 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₂₁H₃₂O₂
Molecular Weight	316.5 g/mol
XLogP3	7.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	9
Exact Mass	316.240230259 g/mol
Monoisotopic Mass	316.240230259 g/mol
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	367
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1