1,2,3,4,6,7,8,8a-Octahydro-alpha,alpha,8,8a-tetramethylnaphthalene-2-methanol

PubChem CID: 146808

Connections displayed (default: 10).

Loading graph...

ℹ️ Click here to know more about the properties

Compound Synonyms	94201-17-9, Kusenol, Kusunol, Jinkoheremol, (+)-Valerianol, 2-(8,8a-dimethyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl)propan-2-ol, jinkoh-eremol, 20489-45-6, EINECS 303-600-3, 1,2,3,4,6,7,8,8a-Octahydro-alpha,alpha,8,8a-tetramethylnaphthalene-2-methanol, DTXSID70916144, 2-Naphthalenemethanol, 1,2,3,4,6,7,8,8a-octahydro-.alpha.,.alpha.,8,8a-tetramethyl-, (2R,8R,8aS)-, 2-(8,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-yl)propan-2-ol, NS00066209
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	C1CCC2CCCCC2C1
Np Classifier Class	Eremophilane sesquiterpenoids, Germacrane sesquiterpenoids, Valerane sesquiterpenoids
Deep Smiles	CCCCC=CC6C)CCCC6))CO)C)C
Heavy Atom Count	16.0
Classyfire Class	Prenol lipids
Description	Constituent of the root of Valeriana officinalis (valerian). Valerianol is found in tea, fats and oils, and herbs and spices.
Scaffold Graph Node Level	C1CCC2CCCCC2C1
Classyfire Subclass	Sesquiterpenoids
Isotope Atom Count	0.0
Molecular Complexity	303.0
Database Name	cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	2-(8,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-yl)propan-2-ol
Prediction Hob	1.0
Class	Prenol lipids
Veber Rule	True
Classyfire Superclass	Lipids and lipid-like molecules
Xlogp	3.5
Superclass	Lipids and lipid-like molecules
Subclass	Sesquiterpenoids
Gsk 4 400 Rule	True
Molecular Formula	C15H26O
Scaffold Graph Node Bond Level	C1=C2CCCCC2CCC1
Prediction Swissadme	1.0
Inchi Key	MQWIFDHBNGIVPO-UHFFFAOYSA-N
Silicos It Class	Soluble
Fcsp3	0.8666666666666667
Logs	-3.566
Rotatable Bond Count	1.0
Logd	3.815
Synonyms	(+)-Valerianol, Kusenol, Kusunol, Valerianol, Jinkoh-eremol, Jinkoheremol, Jinkoheremol, (2R-(2alpha,8alpha,8aalpha))-isomer, Jinkoheremol, (2R-(2alpha,8beta,8abeta))-isomer, kusunol
Esol Class	Soluble
Functional Groups	CC=C(C)C, CO
Compound Name	1,2,3,4,6,7,8,8a-Octahydro-alpha,alpha,8,8a-tetramethylnaphthalene-2-methanol
Kingdom	Organic compounds
Prediction Hob Swissadme	1.0
Exact Mass	222.198
Formal Charge	0.0
Monoisotopic Mass	222.198
Hydrogen Bond Acceptor Count	1.0
Molecular Weight	222.37
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	3.0
Total Bond Stereocenter Count	0.0
Molecular Framework	Aliphatic homopolycyclic compounds
Lipinski Rule Of 5	True
Esol	-3.3829063999999995
Inchi	InChI=1S/C15H26O/c1-11-6-5-7-12-8-9-13(14(2,3)16)10-15(11,12)4/h7,11,13,16H,5-6,8-10H2,1-4H3
Smiles	CC1CCC=C2C1(CC(CC2)C(C)(C)O)C
Nring	2.0
Np Classifier Biosynthetic Pathway	Terpenoids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Taxonomy Direct Parent	Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids
Np Classifier Superclass	Sesquiterpenoids

1. Outgoing r'ship FOUND_IN to/from Aconitum Anthora (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Aconitum Balfourii (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Aconitum Bisma (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Aconitum Brachypodum (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Aconitum Brevicalcaratum (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Aconitum Bullatifolium (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Aconitum Bulleyanum (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Aconitum Burnatii (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Aconitum Campylorrhynchum (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Aconitum Carmichaelii (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Aconitum Chasmanthum (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Aconitum Chrysotrichum (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Aconitum Ciliare (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Aconitum Contortum (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Aconitum Coreanum (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Aconitum Elwesii (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Aconitum Episcopale (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Aconitum Excelsum (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Aconitum Falconeri (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Aconitum Fauriei (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Aconitum Ferox (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Aconitum Finetianum (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Aconitum Fischeri (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
24. Outgoing r'ship FOUND_IN to/from Aconitum Forrestii (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Aconitum Geniculatum (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Aconitum Gigas (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Aconitum Gymnandrum (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Aconitum Habaense (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Aconitum Hemsleyanum (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Aconitum Heterophylloides (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Aconitum Heterophyllum (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Aconitum Hookeri (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Aconitum Japonicum (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Aconitum Kamtschaticum (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Aconitum Karakolicum (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Aconitum Kirinense (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Aconitum Kongboense (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Aconitum Koreanum (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Aconitum Kusnezoffii (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Aconitum Laeve (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Aconitum Legendrei (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Aconitum Lethale (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Aconitum Leucostomum (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Aconitum Likiangense (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Aconitum Liljestrandii (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Aconitum Lucidusculum (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Aconitum Lycoctonum (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Aconitum Nagarum (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Aconitum Napellus (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Aconitum Naviculare (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Aconitum Nemorum (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Aconitum Nevadense (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Aconitum Novuluridum (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Aconitum Orientale (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Aconitum Palmatum (Plant) Rel Props:Reference:
56. Outgoing r'ship FOUND_IN to/from Aconitum Pendulum (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Aconitum Polyschistum (Plant) Rel Props:Reference:
58. Outgoing r'ship FOUND_IN to/from Aconitum Pseudohuiliense (Plant) Rel Props:Reference:
59. Outgoing r'ship FOUND_IN to/from Aconitum Richardsonianum (Plant) Rel Props:Reference:
60. Outgoing r'ship FOUND_IN to/from Aconitum Rotundifolium (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Aconitum Sachalinense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
62. Outgoing r'ship FOUND_IN to/from Aconitum Sajanense (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Aconitum Seravschanicum (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Aconitum Soongaricum (Plant) Rel Props:Reference:
65. Outgoing r'ship FOUND_IN to/from Aconitum Subcuneatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
66. Outgoing r'ship FOUND_IN to/from Aconitum Sungpanense (Plant) Rel Props:Reference:
67. Outgoing r'ship FOUND_IN to/from Aconitum Talassicum (Plant) Rel Props:Reference:
68. Outgoing r'ship FOUND_IN to/from Aconitum Tanguticum (Plant) Rel Props:Reference:
69. Outgoing r'ship FOUND_IN to/from Aconitum Tasiromontanum (Plant) Rel Props:Reference:
70. Outgoing r'ship FOUND_IN to/from Aconitum Tianschanicum (Plant) Rel Props:Reference:
71. Outgoing r'ship FOUND_IN to/from Aconitum Triphyllum (Plant) Rel Props:Reference:
72. Outgoing r'ship FOUND_IN to/from Aconitum Umbrosum (Plant) Rel Props:Reference:
73. Outgoing r'ship FOUND_IN to/from Aconitum Variegatum (Plant) Rel Props:Reference:
74. Outgoing r'ship FOUND_IN to/from Aconitum Vilmorini (Plant) Rel Props:Reference:
75. Outgoing r'ship FOUND_IN to/from Aconitum Vilmorinianum (Plant) Rel Props:Reference:
76. Outgoing r'ship FOUND_IN to/from Aconitum Violaceum (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Aconitum Volubile (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Aconitum Zuccarini (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Angelica Sinensis (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Aquilaria Agallocha (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1993.9698252
81. Outgoing r'ship FOUND_IN to/from Aquilaria Agallochum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
82. Outgoing r'ship FOUND_IN to/from Aquilaria Malaccensis (Plant) Rel Props:Reference:ISBN:9788172360818
83. Outgoing r'ship FOUND_IN to/from Aquilaria Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
84. Outgoing r'ship FOUND_IN to/from Bretschneidera Sinensis (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Bursera Graveolens (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1563
86. Outgoing r'ship FOUND_IN to/from Camellia Sinensis (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Cephalotaxus Sinensis (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Chaenomeles Sinensis (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Citrus Sinensis (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Cordia Sinensis (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Cordyceps Sinensis (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Corymbia Maculata (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730050207
93. Outgoing r'ship FOUND_IN to/from Cryptolepis Sinensis (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Diphylleia Sinensis (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Dolichos Sinensis (Plant) Rel Props:Reference:
96. Outgoing r'ship FOUND_IN to/from Eucalyptus Amplifolia (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730050207
97. Outgoing r'ship FOUND_IN to/from Eucalyptus Globulus (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730050207
98. Outgoing r'ship FOUND_IN to/from Eucalyptus Grandis (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730050207
99. Outgoing r'ship FOUND_IN to/from Eucalyptus Melliodora (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730050207
100. Outgoing r'ship FOUND_IN to/from Eucalyptus Polyanthemos (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730050207
101. Outgoing r'ship FOUND_IN to/from Eucalyptus Sideroxylon (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730050207
102. Outgoing r'ship FOUND_IN to/from Eucalyptus Viminalis (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730050207
103. Outgoing r'ship FOUND_IN to/from Eupatorium Sachalinense (Plant) Rel Props:Reference:
104. Outgoing r'ship FOUND_IN to/from Gleditsia Sinensis (Plant) Rel Props:Reference:
105. Outgoing r'ship FOUND_IN to/from Hedysarum Sachalinense (Plant) Rel Props:Reference:
106. Outgoing r'ship FOUND_IN to/from Incarvillea Sinensis (Plant) Rel Props:Reference:
107. Outgoing r'ship FOUND_IN to/from Juglans Sinensis (Plant) Rel Props:Reference:
108. Outgoing r'ship FOUND_IN to/from Ligularia Fischeri (Plant) Rel Props:Reference:
109. Outgoing r'ship FOUND_IN to/from Macaranga Sinensis (Plant) Rel Props:Reference:
110. Outgoing r'ship FOUND_IN to/from Miliusa Sinensis (Plant) Rel Props:Reference:
111. Outgoing r'ship FOUND_IN to/from Miscanthus Sinensis (Plant) Rel Props:Reference:
112. Outgoing r'ship FOUND_IN to/from Neolitsea Fischeri (Plant) Rel Props:Reference:
113. Outgoing r'ship FOUND_IN to/from Neottia Sinensis (Plant) Rel Props:Reference:
114. Outgoing r'ship FOUND_IN to/from Nyssa Sinensis (Plant) Rel Props:Reference:
115. Outgoing r'ship FOUND_IN to/from Phellodendron Sachalinense (Plant) Rel Props:Reference:
116. Outgoing r'ship FOUND_IN to/from Pseudotsuga Sinensis (Plant) Rel Props:Reference:
117. Outgoing r'ship FOUND_IN to/from Saccharum Sinensis (Plant) Rel Props:Reference:
118. Outgoing r'ship FOUND_IN to/from Scopolia Sinensis (Plant) Rel Props:Reference:
119. Outgoing r'ship FOUND_IN to/from Selaginella Sinensis (Plant) Rel Props:Reference:
120. Outgoing r'ship FOUND_IN to/from Spiranthes Sinensis (Plant) Rel Props:Reference:
121. Outgoing r'ship FOUND_IN to/from Tinospora Sinensis (Plant) Rel Props:Reference:
122. Outgoing r'ship FOUND_IN to/from Toona Sinensis (Plant) Rel Props:Reference:
123. Outgoing r'ship FOUND_IN to/from Uncaria Sinensis (Plant) Rel Props:Reference:
124. Outgoing r'ship FOUND_IN to/from Wisteria Sinensis (Plant) Rel Props:Reference:

Back to Browse Back to Home

GRAYU Website

Grayu

1,2,3,4,6,7,8,8a-Octahydro-alpha,alpha,8,8a-tetramethylnaphthalene-2-methanol

Graph

Phytochemical Properties

Associated Connections 124

Plant Connections 124