Dysidenin

PubChem CID: 10007601

Connections displayed (default: 10).

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Compound Synonyms	Dysidenin, Dysidenine, CHEMBL391079, CHEBI:189706, (2S,4S)-5,5,5-trichloro-4-methyl-2-[methyl-[(3S)-4,4,4-trichloro-3-methylbutanoyl]amino]-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]pentanamide, (-)-dysidenin, (2R,4R)-5,5,5-trichloro-4-methyl-2-(methyl-((3R)-4,4,4-trichloro-3-methylbutanoyl)amino)-N-((1R)-1-(1,3-thiazol-2-yl)ethyl)pentanamide, (2R,4R)-5,5,5-trichloro-4-methyl-2-[methyl-[(3R)-4,4,4-trichloro-3-methylbutanoyl]amino]-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pentanamide, (2S,4S)-5,5,5-trichloro-4-methyl-2-(methyl((3S)-4,4,4-trichloro-3-methylbutanoyl)amino)-N-((1S)-1-(1,3-thiazol-2-yl)ethyl)pentanamide, (2S,4S)-5,5,5-trichloro-4-methyl-2-(methyl-((3S)-4,4,4-trichloro-3-methylbutanoyl)amino)-N-((1S)-1-(1,3-thiazol-2-yl)ethyl)pentanamide, (2S,4S)-5,5,5-trichloro-4-methyl-2-{methyl[(3S)-4,4,4-trichloro-3-methylbutanoyl]amino}-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]pentanamide, (4S)-5,5,5-trichloro-N(2)-methyl-N-((1S)-1-(1,3-thiazol-2-yl)ethyl)-N(2)-((3S)-4,4,4-trichloro-3-methylbutanoyl)-L-leucinamide, (4S)-5,5,5-trichloro-N(2)-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-N(2)-[(3S)-4,4,4-trichloro-3-methylbutanoyl]-L-leucinamide, (-)-Dysidenin, Dysidenine, Pentanamide, 5,5,5-trichloro-4-methyl-2-(methyl(4,4,4-trichloro-3-methyl-1-oxobutyl)amino)-N-(1-(2-thiazolyl)ethyl)-, BDBM50221405, Q21099603, (2S,4S)-5,5,5-trichloro-4-methyl-N-((S)-1-(thiazol-2-yl)ethyl)-2-((S)-4,4,4-trichloro-N,3-dimethylbutanamido)pentanamide
Topological Polar Surface Area	90.5
Hydrogen Bond Donor Count	1.0
Heavy Atom Count	29.0
Isotope Atom Count	0.0
Molecular Complexity	572.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	4.0
Uniprot Id	P18054, P16050
Iupac Name	(2S,4S)-5,5,5-trichloro-4-methyl-2-[methyl-[(3S)-4,4,4-trichloro-3-methylbutanoyl]amino]-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]pentanamide
Prediction Hob	1.0
Target Id	NPT1119, NPT792
Xlogp	5.6
Molecular Formula	C17H23Cl6N3O2S
Prediction Swissadme	0.0
Inchi Key	BFVRAKVNXYQMID-BJDJZHNGSA-N
Fcsp3	0.7058823529411765
Logs	-4.638
Rotatable Bond Count	8.0
Logd	3.058
Compound Name	Dysidenin
Prediction Hob Swissadme	0.0
Exact Mass	544.961
Formal Charge	0.0
Monoisotopic Mass	542.964
Hydrogen Bond Acceptor Count	4.0
Molecular Weight	546.2
Covalent Unit Count	1.0
Total Atom Stereocenter Count	4.0
Total Bond Stereocenter Count	0.0
Esol	-6.521271206896552
Inchi	InChI=1S/C17H23Cl6N3O2S/c1-9(16(18,19)20)7-12(14(28)25-11(3)15-24-5-6-29-15)26(4)13(27)8-10(2)17(21,22)23/h5-6,9-12H,7-8H2,1-4H3,(H,25,28)/t9-,10-,11-,12-/m0/s1
Smiles	C[C@@H](C[C@@H](C(=O)N[C@@H](C)C1=NC=CS1)N(C)C(=O)C[C@H](C)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl
Nring	1.0
Defined Bond Stereocenter Count	0.0

1. Outgoing r'ship FOUND_IN to/from Achillea Alpina (Plant) Rel Props:Reference:
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9. Outgoing r'ship FOUND_IN to/from Achillea Leptophylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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59. Outgoing r'ship FOUND_IN to/from Dioscorea Nipponica (Plant) Rel Props:Reference:
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68. Outgoing r'ship FOUND_IN to/from Dioscorea Puber (Plant) Rel Props:Reference:
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76. Outgoing r'ship FOUND_IN to/from Dioscorea Tomentosa (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Dioscorea Villosa (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Dioscorea Wallichi (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Dioscorea Wallichii (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Dioscorea Zingiberensis (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Dorstenia Barnimiana (Plant) Rel Props:Source_db:npass_chem_all
82. Outgoing r'ship FOUND_IN to/from Dorstenia Barteri (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Dorstenia Dinklagei (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Dorstenia Indica (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Dorstenia Lindeniana (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Dorstenia Mannii (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Erlangea Cordifolia (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Eucryphia Cordifolia (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Eulophia Herbacea (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Ficus Cordifolia (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Flemingia Macrophylla (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Garcinia Macrophylla (Plant) Rel Props:Reference:
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94. Outgoing r'ship FOUND_IN to/from Glycosmis Macrophylla (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Gutenbergia Cordifolia (Plant) Rel Props:Reference:
96. Outgoing r'ship FOUND_IN to/from Haldina Cordifolia (Plant) Rel Props:Reference:
97. Outgoing r'ship FOUND_IN to/from Hedyotis Herbacea (Plant) Rel Props:Reference:
98. Outgoing r'ship FOUND_IN to/from Hydrangea Macrophylla (Plant) Rel Props:Reference:
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107. Outgoing r'ship FOUND_IN to/from Nicotiana Macrophylla (Plant) Rel Props:Reference:
108. Outgoing r'ship FOUND_IN to/from Oldenlandia Herbacea (Plant) Rel Props:Reference:
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110. Outgoing r'ship FOUND_IN to/from Oxybasis Urbica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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173. Outgoing r'ship FOUND_IN to/from Uvaria Scheffleri (Plant) Rel Props:Reference:
174. Outgoing r'ship FOUND_IN to/from Verbascum Chinense (Plant) Rel Props:Reference:
175. Outgoing r'ship FOUND_IN to/from Verbascum Coromandelianum (Plant) Rel Props:Reference:
176. Outgoing r'ship FOUND_IN to/from Verbascum Fruticulosum (Plant) Rel Props:Reference:
177. Outgoing r'ship FOUND_IN to/from Verbascum Georgicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
178. Outgoing r'ship FOUND_IN to/from Verbascum Laxum (Plant) Rel Props:Reference:
179. Outgoing r'ship FOUND_IN to/from Verbascum Lychnites (Plant) Rel Props:Reference:
180. Outgoing r'ship FOUND_IN to/from Verbascum Phlomoides (Plant) Rel Props:Reference:
181. Outgoing r'ship FOUND_IN to/from Verbascum Spinosum (Plant) Rel Props:Reference:
182. Outgoing r'ship FOUND_IN to/from Verbascum Thapsiforme (Plant) Rel Props:Reference:
183. Outgoing r'ship FOUND_IN to/from Verbascum Thapsus (Plant) Rel Props:Reference:
184. Outgoing r'ship FOUND_IN to/from Verbascum Wiedemannianum (Plant) Rel Props:Reference:
185. Outgoing r'ship FOUND_IN to/from Viguiera Annua (Plant) Rel Props:Reference:
186. Outgoing r'ship FOUND_IN to/from Viguiera Cordifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
187. Outgoing r'ship FOUND_IN to/from Viguiera Decurrens (Plant) Rel Props:Reference:
188. Outgoing r'ship FOUND_IN to/from Viguiera Dentata (Plant) Rel Props:Reference:
189. Outgoing r'ship FOUND_IN to/from Viguiera Incana (Plant) Rel Props:Reference:
190. Outgoing r'ship FOUND_IN to/from Viguiera Linearis (Plant) Rel Props:Reference:
191. Outgoing r'ship FOUND_IN to/from Viguiera Oblongifolia (Plant) Rel Props:Reference:
192. Outgoing r'ship FOUND_IN to/from Viguiera Pinnatilobata (Plant) Rel Props:Reference:
193. Outgoing r'ship FOUND_IN to/from Viguiera Stenoloba (Plant) Rel Props:Reference:
194. Outgoing r'ship FOUND_IN to/from Vinca Herbacea (Plant) Rel Props:Reference:
195. Outgoing r'ship FOUND_IN to/from Zieria Chevalieri (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
196. Outgoing r'ship FOUND_IN to/from Zieria Smithii (Plant) Rel Props:Reference:

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Phytochemical Properties

Associated Connections 196

Plant Connections 196