Herculin

PubChem CID: 5318023

Connections displayed (default: 10).

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Compound Synonyms	Herculin, (2E,8E)-N-(2-methylpropyl)dodeca-2,8-dienamide, N-isobutyl-2,8-dodecadienamide, CHEBI:165526, LMFA08020180
Topological Polar Surface Area	29.1
Hydrogen Bond Donor Count	1.0
Heavy Atom Count	18.0
Description	Isolated from Zanthoxylum clava-herculis (Hercules' club). Herculin is found in herbs and spices.
Isotope Atom Count	0.0
Molecular Complexity	254.0
Database Name	cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	(2E,8E)-N-(2-methylpropyl)dodeca-2,8-dienamide
Prediction Hob	1.0
Class	Fatty Acyls
Xlogp	5.0
Superclass	Lipids and lipid-like molecules
Subclass	Fatty amides
Molecular Formula	C16H29NO
Prediction Swissadme	0.0
Inchi Key	JNPRQUIWDVDHIT-GYIPPJPDSA-N
Fcsp3	0.6875
Logs	-3.962
Rotatable Bond Count	10.0
State	Solid
Logd	4.426
Synonyms	Herculin, N-Isobutyl-2,8-dodecadienamide, Human myogenic factor, myf-6, Myogenic factor 6 (herculin) protein, human, Myf6 protein, mouse, Myogenic factor 6 protein, rat, Myogenic factor, myf-6, MRF4, MYF6 protein, human, Myf-6, Herculin protein, mouse, Herculin protein, rat, Myogenic factor 6 protein, mouse, Myf6 protein, rat, Herculin protein, human, Muscle regulatory factor 4, Myogenic factor 6, 12,13,25,26-Tetradehydrocarpaine, 9ci
Compound Name	Herculin
Kingdom	Organic compounds
Prediction Hob Swissadme	0.0
Exact Mass	251.225
Formal Charge	0.0
Monoisotopic Mass	251.225
Hydrogen Bond Acceptor Count	1.0
Molecular Weight	251.41
Covalent Unit Count	1.0
Total Atom Stereocenter Count	0.0
Total Bond Stereocenter Count	2.0
Molecular Framework	Aliphatic acyclic compounds
Esol	-4.109266799999999
Inchi	InChI=1S/C16H29NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h6-7,12-13,15H,4-5,8-11,14H2,1-3H3,(H,17,18)/b7-6+,13-12+
Smiles	CCC/C=C/CCCC/C=C/C(=O)NCC(C)C
Nring	0.0
Defined Bond Stereocenter Count	2.0
Taxonomy Direct Parent	N-acyl amines

1. Outgoing r'ship FOUND_IN to/from Alangium Chinense (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Alcea Nudiflora (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Alcea Rosea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
4. Outgoing r'ship FOUND_IN to/from Allium Chinense (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Arisaema Amurense (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Bupleurum Chinense (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Canavalia Rosea (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Cirsium Chinense (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Clerodendrum Chinense (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Clinopodium Chinense (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Corydalis Rosea (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Cynanchum Chinense (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Eriosema Chinense (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Eupatorium Chinense (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Euphorbia Rosea (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Hypericum Chinense (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Hypoestes Rosea (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Lochnera Rosea (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Loropetalum Chinense (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Lycium Chinense (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Lycopodium Chinense (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Palafoxia Rosea (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Phellodendron Amurense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
24. Outgoing r'ship FOUND_IN to/from Phellodendron Chinense (Plant) Rel Props:Source_db:npass_chem_all; Reference:
25. Outgoing r'ship FOUND_IN to/from Phellodendron Japonicum (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Phellodendron Sachalinense (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Plumbago Rosea (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Polygonum Chinense (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Primula Rosea (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Rhodiola Rosea (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Ribes Fasciculatum (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Ruellia Rosea (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Tabebuia Rosea (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Thesium Chinense (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Verbascum Chinense (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Vernonia Chinense (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Vinca Rosea (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Zanthoxylum Acanthopodium (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Zanthoxylum Acutifolium (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Zanthoxylum Ailanthoides (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Zanthoxylum Americanum (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Zanthoxylum Armatum (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Zanthoxylum Arnottianum (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Zanthoxylum Avicennae (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Zanthoxylum Belizense (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Zanthoxylum Brachyacanthum (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Zanthoxylum Budrunga (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Zanthoxylum Bungeanum (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Zanthoxylum Chiloperone (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Zanthoxylum Chiriquinum (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Zanthoxylum Clava- (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
52. Outgoing r'ship FOUND_IN to/from Zanthoxylum Cuspidatum (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Zanthoxylum Decaryi (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Zanthoxylum Dipetalum (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Zanthoxylum Dissitum (Plant) Rel Props:Reference:
56. Outgoing r'ship FOUND_IN to/from Zanthoxylum Echinocarpum (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Zanthoxylum Elephantiasis (Plant) Rel Props:Reference:
58. Outgoing r'ship FOUND_IN to/from Zanthoxylum Fagara (Plant) Rel Props:Reference:
59. Outgoing r'ship FOUND_IN to/from Zanthoxylum Flavum (Plant) Rel Props:Reference:
60. Outgoing r'ship FOUND_IN to/from Zanthoxylum Fraxineum (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Zanthoxylum Hamiltonianum (Plant) Rel Props:Reference:
62. Outgoing r'ship FOUND_IN to/from Zanthoxylum Hostile (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Zanthoxylum Integrifoliolum (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Zanthoxylum Limonella (Plant) Rel Props:Reference:
65. Outgoing r'ship FOUND_IN to/from Zanthoxylum Monophyllum (Plant) Rel Props:Reference:
66. Outgoing r'ship FOUND_IN to/from Zanthoxylum Myriacanthum (Plant) Rel Props:Reference:
67. Outgoing r'ship FOUND_IN to/from Zanthoxylum Nitidum (Plant) Rel Props:Reference:
68. Outgoing r'ship FOUND_IN to/from Zanthoxylum Ocumarense (Plant) Rel Props:Reference:
69. Outgoing r'ship FOUND_IN to/from Zanthoxylum Ovalifolium (Plant) Rel Props:Reference:
70. Outgoing r'ship FOUND_IN to/from Zanthoxylum Oxyphyllum (Plant) Rel Props:Reference:
71. Outgoing r'ship FOUND_IN to/from Zanthoxylum Piperitum (Plant) Rel Props:Reference:
72. Outgoing r'ship FOUND_IN to/from Zanthoxylum Planispinum (Plant) Rel Props:Reference:
73. Outgoing r'ship FOUND_IN to/from Zanthoxylum Podocarpum (Plant) Rel Props:Reference:
74. Outgoing r'ship FOUND_IN to/from Zanthoxylum Rhetsa (Plant) Rel Props:Reference:
75. Outgoing r'ship FOUND_IN to/from Zanthoxylum Rubescens (Plant) Rel Props:Reference:
76. Outgoing r'ship FOUND_IN to/from Zanthoxylum Schinifolium (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Zanthoxylum Simulans (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Zanthoxylum Spinosum (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Zanthoxylum Syncarpum (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Zanthoxylum Tetraspermum (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Zanthoxylum Triphyllum (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Zanthoxylum Tsihanimposa (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Zanthoxylum Veneficium (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Zephyranthes Rosea (Plant) Rel Props:Reference:

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Phytochemical Properties

Associated Connections 84

Plant Connections 84