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Technical details about Perillyl Alcohol, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: 536-59-4, Perilla alcohol, Perillol, Isocarveol, P-mentha-1,8-dien-7-ol, Hydrocumin alcohol
Molecular Formula
C10H16O
Molecular Weight
152.23  g/mol
InChI Key
NDTYTMIUWGWIMO-UHFFFAOYSA-N
FDA UNII
319R5C7293

perillylalcohol is a natural product found in Trachyspermum anethifolium, Geum heterocarpum, and other organisms with data available.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(4-prop-1-en-2-ylcyclohexen-1-yl)methanol
2.1.2 InChI
InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,10-11H,1,4-7H2,2H3
2.1.3 InChI Key
NDTYTMIUWGWIMO-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(=C)C1CCC(=CC1)CO
2.2 Other Identifiers
2.2.1 UNII
319R5C7293
2.3 Synonyms
2.3.1 MeSH Synonyms

1. (-)-p-mentha-1,8-dien-7-ol

2. (s)-perillyl Alcohol

3. 1-cyclohexene-1-methanol, 4-(1-methylethenyl)-, (4s)-

4. 4-isopropenyl-cyclohex-1-ene-1-methanol

5. Cyclohex-1-ene-1-methanol, 4(1-methylethenyl)

6. Dihydrocuminyl Alcohol

7. Nsc 641066

8. P-mentha-1,8-dien-7-ol

9. Perilla Alcohol

10. Perilla Alcohol, (r)-isomer

11. Perilla Alcohol, (s)-isomer

2.3.2 Depositor-Supplied Synonyms

1. 536-59-4

2. Perilla Alcohol

3. Perillol

4. Isocarveol

5. P-mentha-1,8-dien-7-ol

6. Hydrocumin Alcohol

7. 1-cyclohexene-1-methanol, 4-(1-methylethenyl)-

8. Dihydrocuminyl Alcohol

9. Iso-carveol

10. 4-isopropenylcyclohex-1-en-1-ylmethanol

11. (4-(prop-1-en-2-yl)cyclohex-1-en-1-yl)methanol

12. 4-isopropenyl-cyclohex-1-ene-1-methanol

13. Dihydrocuminic Alcohol

14. 4-isopropenyl-1-cyclohexene Carbinol

15. Fema No. 2664

16. (4-prop-1-en-2-ylcyclohexen-1-yl)methanol

17. 1-hydroxymethyl-4-isopropenyl-1-cyclohexene

18. 4-(1-methylethenyl)-1-cyclohexene-1-methanol

19. Chebi:15420

20. 1,8-p-menthadien-7-ol

21. Cyclohex-1-ene-1-methanol, 4-(1-methylethenyl)-

22. [4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]methanol

23. Para-mentha-1,8-dien-7-ol

24. Perillic Alcohol

25. Chembl444711

26. 319r5c7293

27. (4-(prop-1-en-2-yl)cyclohex-1-enyl)methanol

28. Dl-perillyl Alcohol

29. Nsc 641066

30. Einecs 208-639-9

31. Perill Alcohol

32. 1-perillalcohol

33. Ccris 8461

34. Unii-319r5c7293

35. Dihydrocuminyl Alcoholn

36. L(-)-perillyl Alcohol

37. Spectrum2_000838

38. Spectrum3_001974

39. Bencynoatehydrochloride

40. Bspbio_003574

41. Stercobilinhydrochloride

42. Schembl296111

43. Spectrum1505297

44. Spbio_000795

45. Perillyl Alcohol [inci]

46. Dtxsid4052180

47. Kbio3_002951

48. (+/-)-perillyl Alcohol

49. Hy-n7000

50. 4-isopropenyl-1-cyclohexene-methanol

51. Bdbm50252404

52. Ccg-40267

53. Mfcd00001567

54. S3853

55. 4-isopropenyl-cyclohex-1-enylmethanol

56. Akos006227854

57. Cs-w019441

58. Sb45076

59. Sdccgmls-0066882.p001

60. Ncgc00095297-01

61. Ncgc00095297-02

62. Ncgc00095297-03

63. Ac-35110

64. P-mentha-1,8-dien-7-ol [fhfi]

65. (4-isopropenyl-1-cyclohexen-1-yl)methanol

66. Db-065484

67. Db-071728

68. Ft-0627990

69. Ft-0690515

70. A870664

71. Sr-05000002384

72. Sr-05000002384-1

73. Brd-a13323580-001-03-0

74. Q15391928

75. F9405e33-6136-4d27-a15e-c10cdc8c9ac4

76. (+/-)-1-cyclohexene-1-methanol, 4-(1-methylethenyl)-

2.4 Create Date
2004-09-16
3 Chemical and Physical Properties
Molecular Weight 152.23 g/mol
Molecular Formula C10H16O
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass152.120115130 g/mol
Monoisotopic Mass152.120115130 g/mol
Topological Polar Surface Area20.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity179
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Antineoplastic Agents

Substances that inhibit or prevent the proliferation of NEOPLASMS. (See all compounds classified as Antineoplastic Agents.)


Enzyme Inhibitors

Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. (See all compounds classified as Enzyme Inhibitors.)


4.2 Metabolism/Metabolites

Limonen-10-ol has known human metabolites that include (2S,3S,4S,5R)-3,4,5-trihydroxy-6-[(4-prop-1-en-2-ylcyclohexen-1-yl)methoxy]oxane-2-carboxylic acid.

Limonen-10-ol is a known human metabolite of (+)-limonene.

S73 | METXBIODB | Metabolite Reaction Database from BioTransformer | DOI:10.5281/zenodo.4056560


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