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Also known as: Cannabichrome, 20675-51-8, Cannanbichromene, Pentylcannabichromene, Cannabinochromene, (+/-)-cannabichromene

Molecular Formula

C₂₁H₃₀O₂

Molecular Weight

314.5 g/mol

InChI Key

UVOLYTDXHDXWJU-UHFFFAOYSA-N

FDA UNII

K4497H250W

cannabichromene is a natural product found in Cannabis sativa with data available.

1 2D Structure

Cannabichromene

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol

2.1.2 InChI

InChI=1S/C21H30O2/c1-5-6-7-10-17-14-19(22)18-11-13-21(4,23-20(18)15-17)12-8-9-16(2)3/h9,11,13-15,22H,5-8,10,12H2,1-4H3

2.1.3 InChI Key

UVOLYTDXHDXWJU-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCCCC1=CC(=C2C=CC(OC2=C1)(C)CCC=C(C)C)O

2.2 Other Identifiers

2.2.1 UNII

K4497H250W

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Cannabichrome

2. 20675-51-8

3. Cannanbichromene

4. Pentylcannabichromene

5. Cannabinochromene

6. (+/-)-cannabichromene

7. 2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol

8. Cannabichromene (cbc)

9. Chebi:3357

10. Chembl422704

11. 2-methyl-2-(4-methyl-3-pentenyl)-7-pentyl-2h-1-benzopyran-5-ol

12. 2h-1-benzopyran-5-ol, 2-methyl-2-(4-methyl-3-pentenyl)-7-pentyl-

13. K4497h250w

14. Nsc-291831

15. Cbc

16. 2h-1-benzopyran-5-ol, 2-methyl-2-(4-methyl-3-penten-1-yl)-7-pentyl-

17. 2-methyl-2-(4-methylpent-3-enyl)-7-pentyl-chromen-5-ol

18. Cannabichchromene

19. Unii-k4497h250w

20. (.+/-.)-cannabichromene

21. Schembl144938

22. (+/-)-cannabichromene (cbc)

23. Gtpl11093

24. Dtxsid80942873

25. 2-methyl-2-(4-methylpent-3-en-1-yl)-7-pentyl-2h-chromen-5-ol

26. Bdbm50318486

27. Nsc291831

28. Akos032948832

29. Db14735

30. 2h-1-benzopyran-5-ol, (.+-.)-

31. ( Inverted Exclamation Marka)-cannabichromene

32. C08998

33. Cannabichromene (cbc) 100 Microg/ml In Methanol

34. Q410949

35. Cannabichromene (cbc) 1000 Microg/ml In Methanol

36. Cannabichromene (cbc) 250 Microg/ml In Acetonitrile

37. 2-methyl-2-(4-methyl-3-pentenyl)-7-pentyl-2h-chromen-5-ol

38. 2-methyl-2-(4-methylpent-3-enyl)-7-pentyl-5-chromenol

39. 2-methyl-2-(4-methyl-3-penten-1-yl)-7-pentyl-2h-1-benzopyran-5-ol

40. 2-methyl-2-(4-methyl-pent-3-enyl)-7-pentyl-2h-chromen-5-ol(cannabichromene)

41. 2h-1-benzopyran-5-ol, 2-methyl-2-(4-methyl-3-pentenyl)-7-pentyl-, (.+/-.)-

42. 18793-28-7

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₂₁H₃₀O₂
Molecular Weight	314.5 g/mol
XLogP3	6.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	7
Exact Mass	314.224580195 g/mol
Monoisotopic Mass	314.224580195 g/mol
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	422
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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