14-(5-Ethyl-6-methylheptan-2-yl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-ene-5,9-diol

PubChem CID: 5318414

Connections displayed (default: 10).

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Compound Synonyms	14-(5-ethyl-6-methylheptan-2-yl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-ene-5,9-diol, 7a-Hydroxysitosterol, 7?-Hydroxysitosterol, CHEBI:173037, JBA42761, LMST01040258, AKOS032948536, (-)-Stigmast-5-ene-3beta,7alpha-diol, 17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2.0
Heavy Atom Count	31.0
Description	Constituent of cane sugar (Saccharum officinarum) and pineapple leaves (Ananas comosus). Ikshusterol is found in many foods, some of which are barley, fruits, pineapple, and corn.
Isotope Atom Count	0.0
Molecular Complexity	668.0
Database Name	cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
Prediction Hob	0.0
Class	Steroids and steroid derivatives
Xlogp	8.2
Superclass	Lipids and lipid-like molecules
Subclass	Stigmastanes and derivatives
Molecular Formula	C29H50O2
Prediction Swissadme	0.0
Inchi Key	SXJVFYZNUGGHRG-UHFFFAOYSA-N
Fcsp3	0.9310344827586208
Rotatable Bond Count	6.0
State	Solid
Synonyms	(-)-Stigmast-5-ene-3beta,7alpha-diol, 7a-Hydroxysitosterol, Hydroxysitosterol, Ikshusterol, Stigmast-5-ene-3,7-diol, (3beta,7alpha)-, Stigmast-5-ene-3beta,7alpha-diol, (3beta,7alpha)-Stigmast-5-ene-3,7-diol, 7-Hydroxysitosterol
Compound Name	14-(5-Ethyl-6-methylheptan-2-yl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-ene-5,9-diol
Kingdom	Organic compounds
Prediction Hob Swissadme	0.0
Exact Mass	430.381
Formal Charge	0.0
Monoisotopic Mass	430.381
Hydrogen Bond Acceptor Count	2.0
Molecular Weight	430.7
Covalent Unit Count	1.0
Total Atom Stereocenter Count	10.0
Total Bond Stereocenter Count	0.0
Molecular Framework	Aliphatic homopolycyclic compounds
Esol	-7.299345400000003
Inchi	InChI=1S/C29H50O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h17-20,22-27,30-31H,7-16H2,1-6H3
Smiles	CCC(CCC(C)C1CCC2C1(CCC3C2C(C=C4C3(CCC(C4)O)C)O)C)C(C)C
Defined Bond Stereocenter Count	0.0
Taxonomy Direct Parent	Stigmastanes and derivatives

1. Outgoing r'ship FOUND_IN to/from Acer Saccharum (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Actinidia Latifolia (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Ainsliaea Latifolia (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Alpinia Officinarum (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Ampelocissus Latifolia (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Ananas Comosas (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Ananas Comosus (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all
8. Outgoing r'ship FOUND_IN to/from Ania Latifolia (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Anogeissus Latifolia (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Baccharis Latifolia (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Bassia Latifolia (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Betula Alnoides (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Betula Bhojpattra (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Betula Davurica (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Betula Ermanii (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Betula Exilis (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Betula Mandshurica (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Betula Maximowicziana (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Betula Papyrifera (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Betula Platyphylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
21. Outgoing r'ship FOUND_IN to/from Betula Pubescens (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Betula Utilis (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Blainvillea Latifolia (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Bromelia Ananas (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Camphora Officinarum (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Ceterach Officinarum (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Cissus Latifolia (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Citrus Latifolia (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Conocarpus Latifolia (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Coutarea Latifolia (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Dalbergia Latifolia (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Dbergia Latifolia (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Elaeagnus Latifolia (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Euphorbia Officinarum (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Euphrasia Platyphylla (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Gardenia Latifolia (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Gnidia Latifolia (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Holboellia Latifolia (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Hordeum Vulgare (Plant) Rel Props:Source_db:fooddb_chem_all
40. Outgoing r'ship FOUND_IN to/from Ichthyothere Latifolia (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Ilex Latifolia (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Impatiens Latifolia (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Isodon Umbrosa (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Kalmia Latifolia (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Mandragora Officinarum (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Millettia Auriculata (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Millettia Brandisiana (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Millettia Conraui (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Millettia Erythrocalyx (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Millettia Extensa (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Millettia Ferruginea (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Millettia Ichthyochtona (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Millettia Laurentii (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Millettia Nitida (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Millettia Pachycarpa (Plant) Rel Props:Reference:
56. Outgoing r'ship FOUND_IN to/from Millettia Peguensis (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Millettia Piscidia (Plant) Rel Props:Reference:
58. Outgoing r'ship FOUND_IN to/from Millettia Racemosa (Plant) Rel Props:Reference:
59. Outgoing r'ship FOUND_IN to/from Millettia Reticulata (Plant) Rel Props:Reference:
60. Outgoing r'ship FOUND_IN to/from Millettia Rubiginosa (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Millettia Stuhlmannii (Plant) Rel Props:Reference:
62. Outgoing r'ship FOUND_IN to/from Millettia Zechiana (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Molineria Latifolia (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Momordica Dioica (Plant) Rel Props:Reference:
65. Outgoing r'ship FOUND_IN to/from Olea Dioica (Plant) Rel Props:Reference:
66. Outgoing r'ship FOUND_IN to/from Oxalis Latifolia (Plant) Rel Props:Reference:
67. Outgoing r'ship FOUND_IN to/from Phillyrea Latifolia (Plant) Rel Props:Reference:
68. Outgoing r'ship FOUND_IN to/from Phytolacca Dioica (Plant) Rel Props:Reference:
69. Outgoing r'ship FOUND_IN to/from Pilosella Officinarum (Plant) Rel Props:Reference:
70. Outgoing r'ship FOUND_IN to/from Pimenta Dioica (Plant) Rel Props:Reference:
71. Outgoing r'ship FOUND_IN to/from Piper Officinarum (Plant) Rel Props:Reference:
72. Outgoing r'ship FOUND_IN to/from Polygala Senega (Plant) Rel Props:Reference:
73. Outgoing r'ship FOUND_IN to/from Posoqueria Latifolia (Plant) Rel Props:Reference:
74. Outgoing r'ship FOUND_IN to/from Saccharum Arundinaceum (Plant) Rel Props:Reference:
75. Outgoing r'ship FOUND_IN to/from Saccharum Bengalense (Plant) Rel Props:Reference:
76. Outgoing r'ship FOUND_IN to/from Saccharum Granorum (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Saccharum Offcinarum (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Saccharum Officinarum (Plant) Rel Props:Source_db:npass_chem_all
79. Outgoing r'ship FOUND_IN to/from Saccharum Sinensis (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Saccharum Spontaneum (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Silene Latifolia (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Stephania Dielsiana (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Tamarix Dioica (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Trema Dielsiana (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Trichosanthes Dioica (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Typha Angustata (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Typha Angustifolia (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Typha Australis (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Typha Domingensis (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Typha Elephantina (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Typha Latifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
92. Outgoing r'ship FOUND_IN to/from Typha Orientalis (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Urtica Ardens (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Urtica Cannabina (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Urtica Dioica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
96. Outgoing r'ship FOUND_IN to/from Urtica Hyperborea (Plant) Rel Props:Reference:
97. Outgoing r'ship FOUND_IN to/from Urtica Magellanica (Plant) Rel Props:Reference:
98. Outgoing r'ship FOUND_IN to/from Urtica Parviflora (Plant) Rel Props:Reference:
99. Outgoing r'ship FOUND_IN to/from Urtica Pilulifera (Plant) Rel Props:Reference:
100. Outgoing r'ship FOUND_IN to/from Urtica Triangularis (Plant) Rel Props:Reference:
101. Outgoing r'ship FOUND_IN to/from Urtica Urens (Plant) Rel Props:Reference:
102. Outgoing r'ship FOUND_IN to/from Valeriana Officinalis (Plant) Rel Props:Reference:
103. Outgoing r'ship FOUND_IN to/from Vitis Latifolia (Plant) Rel Props:Reference:
104. Outgoing r'ship FOUND_IN to/from Zea Mays (Plant) Rel Props:Source_db:fooddb_chem_all

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14-(5-Ethyl-6-methylheptan-2-yl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-ene-5,9-diol

Graph

Phytochemical Properties

Associated Connections 104

Plant Connections 104