Lobetyol

PubChem CID: 5807986

Connections displayed (default: 10).

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Compound Synonyms	Lobetyol, NSC648763, 136171-87-4, (4E,12E)-tetradeca-4,12-dien-8,10-diyne-1,6,7-triol, 4,10-diyne-1,6,7-triol,, AKOS040761989, NSC-648763, HY-117652, CS-0066746, tetradeca-4,12-dien-8,10-diin-1,6,7-triol, 4,12-Tetradecadiene-8,10-diyne-1,6,7-triol, (4E,12E)-
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	60.7
Hydrogen Bond Donor Count	3.0
Pfizer 3 75 Rule	False
Np Classifier Class	Fatty alcohols, Hydrocarbons
Deep Smiles	C/C=C/C#CC#CCC/C=C/CCCO))))))O))O
Heavy Atom Count	17.0
Classyfire Class	Fatty acyls
Classyfire Subclass	Fatty alcohols
Isotope Atom Count	0.0
Molecular Complexity	381.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	(4E,12E)-tetradeca-4,12-dien-8,10-diyne-1,6,7-triol
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Lipids and lipid-like molecules
Xlogp	1.0
Gsk 4 400 Rule	True
Molecular Formula	C14H18O3
Prediction Swissadme	1.0
Inchi Key	RKOQCMNXJZJWBU-FWTOVJONSA-N
Silicos It Class	Soluble
Fcsp3	0.4285714285714285
Logs	-2.849
Rotatable Bond Count	6.0
Logd	1.636
Synonyms	lobetyol
Esol Class	Very soluble
Functional Groups	C/C=C/C, CC#CC#C/C=C/C, CO
Compound Name	Lobetyol
Prediction Hob Swissadme	1.0
Exact Mass	234.126
Formal Charge	0.0
Monoisotopic Mass	234.126
Hydrogen Bond Acceptor Count	3.0
Molecular Weight	234.29
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	2.0
Total Bond Stereocenter Count	2.0
Lipinski Rule Of 5	True
Esol	-1.6178289999999995
Inchi	InChI=1S/C14H18O3/c1-2-3-4-5-7-10-13(16)14(17)11-8-6-9-12-15/h2-3,8,11,13-17H,6,9,12H2,1H3/b3-2+,11-8+
Smiles	C/C=C/C#CC#CC(C(/C=C/CCCO)O)O
Nring	0.0
Np Classifier Biosynthetic Pathway	Fatty acids
Defined Bond Stereocenter Count	2.0
Egan Rule	True
Np Classifier Superclass	Fatty acyls

1. Outgoing r'ship FOUND_IN to/from Abelia Chinensis (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Actinidia Chinensis (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Aesculus Chinensis (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Albizia Chinensis (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Albizzia Chinensis (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Aloe Vera (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Alpinia Chinensis (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Anthocephalus Chinensis (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Aralia Chinensis (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Artemisia Chinensis (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Arundina Chinensis (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Astilbe Chinensis (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Atractylodes Chinensis (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Aucuba Chinensis (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Belamcanda Chinensis (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Blumea Chinensis (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Boerhavia Chinensis (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Breonia Chinensis (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Clematis Chinensis (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Codonopsis Canescens (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Codonopsis Clematidea (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Codonopsis Cordifolioidea (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Codonopsis Ovata (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Codonopsis Pilosula (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
25. Outgoing r'ship FOUND_IN to/from Codonopsis Radix (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Codonopsis Rotundifolia (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Codonopsis Subglobosa (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Coptis Chinensis (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Cryptocarya Chinensis (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Cuscuta Chinensis (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Desmos Chinensis (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Dianthus Chinensis (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Dicliptera Chinensis (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Eremurus Chinensis (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Fraxinus Chinensis (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Hydrangea Chinensis (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Impatiens Chinensis (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Inula Britannica (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Iris Lactea (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Ixeris Chinensis (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Ixora Chinensis (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Juniperus Chinensis (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Klaseopsis Chinensis (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Listea Chinensis (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Litchi Chinensis (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Lobelia Alsinoides (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Lobelia Cardinalis (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Lobelia Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
49. Outgoing r'ship FOUND_IN to/from Lobelia Hassleri (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Lobelia Inflata (Plant) Rel Props:Reference:ISBN:9788172362461
51. Outgoing r'ship FOUND_IN to/from Lobelia Langeana (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Lobelia Leschenaultiana (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Lobelia Nicotianaefolia (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Lobelia Nicotianifolia (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Lobelia Nicotinaefolia (Plant) Rel Props:Reference:
56. Outgoing r'ship FOUND_IN to/from Lobelia Pyramidalis (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Lobelia Sinoides (Plant) Rel Props:Reference:
58. Outgoing r'ship FOUND_IN to/from Lobelia St (Plant) Rel Props:Reference:
59. Outgoing r'ship FOUND_IN to/from Lobelia Syphilitica (Plant) Rel Props:Reference:
60. Outgoing r'ship FOUND_IN to/from Matsumurella Chinensis (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Mosla Chinensis (Plant) Rel Props:Reference:
62. Outgoing r'ship FOUND_IN to/from Odontosoria Chinensis (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Osbeckia Chinensis (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Paederia Chinensis (Plant) Rel Props:Reference:
65. Outgoing r'ship FOUND_IN to/from Persicaria Chinensis (Plant) Rel Props:Reference:
66. Outgoing r'ship FOUND_IN to/from Pistacia Chinensis (Plant) Rel Props:Reference:
67. Outgoing r'ship FOUND_IN to/from Polygala Chinensis (Plant) Rel Props:Reference:
68. Outgoing r'ship FOUND_IN to/from Potentilla Chinensis (Plant) Rel Props:Reference:
69. Outgoing r'ship FOUND_IN to/from Pothos Chinensis (Plant) Rel Props:Reference:
70. Outgoing r'ship FOUND_IN to/from Pratia Nummularia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
71. Outgoing r'ship FOUND_IN to/from Pulsatilla Chinensis (Plant) Rel Props:Reference:
72. Outgoing r'ship FOUND_IN to/from Rhus Chinensis (Plant) Rel Props:Reference:
73. Outgoing r'ship FOUND_IN to/from Rosa Chinensis (Plant) Rel Props:Reference:
74. Outgoing r'ship FOUND_IN to/from Salacia Chinensis (Plant) Rel Props:Reference:
75. Outgoing r'ship FOUND_IN to/from Saururus Chinensis (Plant) Rel Props:Reference:
76. Outgoing r'ship FOUND_IN to/from Schisandra Chinensis (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Scolopia Chinensis (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Senecio Chinensis (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Simmondsia Chinensis (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Siphonostegia Chinensis (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Solidago Chinensis (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Sphenomeris Chinensis (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Stachys Chinensis (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Stauntonia Chinensis (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Swertia Chinensis (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Symplocos Chinensis (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Tamarix Chinensis (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Taverniera Nummularia (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Taxillus Chinensis (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Taxus Chinensis (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Thermopsis Chinensis (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Trollius Chinensis (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Tsuga Chinensis (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Tupistra Chinensis (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Wedelia Chinensis (Plant) Rel Props:Reference:
96. Outgoing r'ship FOUND_IN to/from Ziziphus Nummularia (Plant) Rel Props:Reference:
97. Outgoing r'ship FOUND_IN to/from Zizyphus Nummularia (Plant) Rel Props:Reference:

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Lobetyol

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Phytochemical Properties

Associated Connections 97

Plant Connections 97