Niazinin

PubChem CID: 10088810

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Compound Synonyms	Niazinin, 147821-57-6, O-methyl N-[[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]methyl]carbamothioate, CHEMBL1223972, HY-N8471, AKOS040762117, DA-76176, MS-25259, CS-0144627, G18123, O-Methyl (4-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)benzyl)carbamothioate
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	133.0
Hydrogen Bond Donor Count	4.0
Pfizer 3 75 Rule	True
Scaffold Graph Level	C1CCC(CC2CCCCC2)CC1
Deep Smiles	COC=S)NCcccccc6))O[C@@H]O[C@@H]C)[C@@H][C@H][C@H]6O))O))O
Heavy Atom Count	23.0
Classyfire Class	Organooxygen compounds
Scaffold Graph Node Level	C1CCC(OC2CCCCO2)CC1
Classyfire Subclass	Carbohydrates and carbohydrate conjugates
Isotope Atom Count	0.0
Molecular Complexity	390.0
Database Name	cmaup_ingredients;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	5.0
Iupac Name	O-methyl N-[[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]methyl]carbamothioate
Prediction Hob	1.0
Class	Organooxygen compounds
Veber Rule	True
Classyfire Superclass	Organic oxygen compounds
Xlogp	0.4
Superclass	Organic oxygen compounds
Subclass	Carbohydrates and carbohydrate conjugates
Gsk 4 400 Rule	True
Molecular Formula	C15H21NO6S
Scaffold Graph Node Bond Level	c1ccc(OC2CCCCO2)cc1
Prediction Swissadme	1.0
Inchi Key	ZOIAMMQYAZSWRX-CNJBRALLSA-N
Silicos It Class	Soluble
Fcsp3	0.5333333333333333
Logs	-2.777
Rotatable Bond Count	5.0
Logd	1.159
Synonyms	(e)-O-Methyl 4-[(alpha-L-rhamnosyloxy)benzyl]thiocarbamate, (e)-O-Methyl 4-[(α-L-rhamnosyloxy)benzyl]thiocarbamate, (Z)-O-Methyl 4-[(alpha-L-rhamnosyloxy)benzyl]thiocarbamate, (Z)-O-Methyl 4-[(α-L-rhamnosyloxy)benzyl]thiocarbamate, Niazinin a, Niazinin b, Niazinine a, Niazinine b, O-Methyl 4-[(alpha-L-rhamnosyloxy)benzyl]thiocarbamate, O-Methyl 4-[(α-L-rhamnosyloxy)benzyl]thiocarbamate, (e)-O-Methyl-4-[(alpha-L-rhamnosyloxy)benzyl]thiocarbamate, (e)-O-Methyl-4-[(α-L-rhamnosyloxy)benzyl]thiocarbamate, (Z)-O-Methyl-4-[(alpha-L-rhamnosyloxy)benzyl]thiocarbamate, (Z)-O-Methyl-4-[(α-L-rhamnosyloxy)benzyl]thiocarbamate, O-Methyl-4-[(alpha-L-rhamnosyloxy)benzyl]thiocarbamate, O-Methyl-4-[(α-L-rhamnosyloxy)benzyl]thiocarbamate, Niazinin, niazinin a
Esol Class	Soluble
Functional Groups	CNC(=S)OC, CO, cO[C@@H](C)OC
Compound Name	Niazinin
Kingdom	Organic compounds
Prediction Hob Swissadme	1.0
Exact Mass	343.109
Formal Charge	0.0
Monoisotopic Mass	343.109
Hydrogen Bond Acceptor Count	7.0
Molecular Weight	343.4
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	5.0
Total Bond Stereocenter Count	0.0
Molecular Framework	Aromatic heteromonocyclic compounds
Lipinski Rule Of 5	True
Esol	-2.34242967826087
Inchi	InChI=1S/C15H21NO6S/c1-8-11(17)12(18)13(19)14(21-8)22-10-5-3-9(4-6-10)7-16-15(23)20-2/h3-6,8,11-14,17-19H,7H2,1-2H3,(H,16,23)/t8-,11-,12+,13+,14-/m0/s1
Smiles	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC=C(C=C2)CNC(=S)OC)O)O)O
Nring	2.0
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Taxonomy Direct Parent	Phenolic glycosides

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29. Outgoing r'ship FOUND_IN to/from Excoecaria Acerifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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36. Outgoing r'ship FOUND_IN to/from Garrya Laurifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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51. Outgoing r'ship FOUND_IN to/from Humboldtia Laurifolia (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Hydnocarpus Laurifolia (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Hypochoeris Glabra (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Iberis Sempervirens (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Indigofera Glabra (Plant) Rel Props:Reference:
56. Outgoing r'ship FOUND_IN to/from Inula Magnifica (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Iphigenia Magnifica (Plant) Rel Props:Reference:
58. Outgoing r'ship FOUND_IN to/from Laggera Alata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
59. Outgoing r'ship FOUND_IN to/from Laggera Aurita (Plant) Rel Props:Reference:
60. Outgoing r'ship FOUND_IN to/from Laggera Crispata (Plant) Rel Props:Reference:
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62. Outgoing r'ship FOUND_IN to/from Laggera Pterodonta (Plant) Rel Props:Reference:
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64. Outgoing r'ship FOUND_IN to/from Litsea Laurifolia (Plant) Rel Props:Reference:
65. Outgoing r'ship FOUND_IN to/from Maesa Ramentacea (Plant) Rel Props:Reference:
66. Outgoing r'ship FOUND_IN to/from Malpighia Glabra (Plant) Rel Props:Reference:
67. Outgoing r'ship FOUND_IN to/from Medinilla Magnifica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
68. Outgoing r'ship FOUND_IN to/from Mesua Beccariana (Plant) Rel Props:Reference:
69. Outgoing r'ship FOUND_IN to/from Mesua Elegans (Plant) Rel Props:Reference:
70. Outgoing r'ship FOUND_IN to/from Mesua Ferrea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
71. Outgoing r'ship FOUND_IN to/from Mesua Racemosa (Plant) Rel Props:Reference:
72. Outgoing r'ship FOUND_IN to/from Mimusops Laurifolia (Plant) Rel Props:Reference:
73. Outgoing r'ship FOUND_IN to/from Monopteryx Uaucu (Plant) Rel Props:Source_db:npass_chem_all
74. Outgoing r'ship FOUND_IN to/from Moringa Concanensis (Plant) Rel Props:Reference:
75. Outgoing r'ship FOUND_IN to/from Moringa Oleifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
76. Outgoing r'ship FOUND_IN to/from Moringa Pterygosperma (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Murraya Alata (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Mussaenda Glabra (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Naregamia Alata (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Naringi Alata (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Onobrychis Arenaria (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Onobrychis Bobrovii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
83. Outgoing r'ship FOUND_IN to/from Onobrychis Cyri (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Onobrychis Ebenoides (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Onobrychis Viciifolia (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Onoseris Alata (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Papaver Album (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Papaver Argemone (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Papaver Bracteatum (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Papaver Caucasicum (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Papaver Commutatum (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Papaver Dubium (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Papaver Fugax (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Papaver Glaucum (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Papaver Hybrid (Plant) Rel Props:Reference:
96. Outgoing r'ship FOUND_IN to/from Papaver Hybridum (Plant) Rel Props:Reference:
97. Outgoing r'ship FOUND_IN to/from Papaver Nudicaule (Plant) Rel Props:Reference:
98. Outgoing r'ship FOUND_IN to/from Papaver Orientale (Plant) Rel Props:Reference:
99. Outgoing r'ship FOUND_IN to/from Papaver Persicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
100. Outgoing r'ship FOUND_IN to/from Papaver Pseudocanescens (Plant) Rel Props:Reference:
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102. Outgoing r'ship FOUND_IN to/from Papaver Rhoeas (Plant) Rel Props:Reference:
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106. Outgoing r'ship FOUND_IN to/from Passiflora Laurifolia (Plant) Rel Props:Reference:
107. Outgoing r'ship FOUND_IN to/from Persicaria Glabra (Plant) Rel Props:Reference:
108. Outgoing r'ship FOUND_IN to/from Petteria Ramentacea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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125. Outgoing r'ship FOUND_IN to/from Senecio Cathcartensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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129. Outgoing r'ship FOUND_IN to/from Senecio Coahuilensis (Plant) Rel Props:Reference:
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177. Outgoing r'ship FOUND_IN to/from Senecio Ruwenzoriensis (Plant) Rel Props:Reference:
178. Outgoing r'ship FOUND_IN to/from Senecio Sandersonii (Plant) Rel Props:Reference:
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185. Outgoing r'ship FOUND_IN to/from Senecio Taiwanensis (Plant) Rel Props:Reference:
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188. Outgoing r'ship FOUND_IN to/from Senecio Toluccanus (Plant) Rel Props:Reference:
189. Outgoing r'ship FOUND_IN to/from Senecio Tricephalus (Plant) Rel Props:Reference:
190. Outgoing r'ship FOUND_IN to/from Senecio Variabilis (Plant) Rel Props:Reference:
191. Outgoing r'ship FOUND_IN to/from Senecio Vellereus (Plant) Rel Props:Reference:
192. Outgoing r'ship FOUND_IN to/from Senecio Viscosus (Plant) Rel Props:Reference:
193. Outgoing r'ship FOUND_IN to/from Senecio Vulgaris (Plant) Rel Props:Reference:
194. Outgoing r'ship FOUND_IN to/from Senecio Zoellneri (Plant) Rel Props:Reference:
195. Outgoing r'ship FOUND_IN to/from Senna Alata (Plant) Rel Props:Reference:
196. Outgoing r'ship FOUND_IN to/from Sequoia Sempervirens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
197. Outgoing r'ship FOUND_IN to/from Smilax Glabra (Plant) Rel Props:Reference:
198. Outgoing r'ship FOUND_IN to/from Stephania Glabra (Plant) Rel Props:Reference:
199. Outgoing r'ship FOUND_IN to/from Swertia Alata (Plant) Rel Props:Reference:
200. Outgoing r'ship FOUND_IN to/from Synotis Alata (Plant) Rel Props:Reference:
201. Outgoing r'ship FOUND_IN to/from Terminalia Alata (Plant) Rel Props:Reference:
202. Outgoing r'ship FOUND_IN to/from Thomandersia Laurifolia (Plant) Rel Props:Reference:
203. Outgoing r'ship FOUND_IN to/from Thunbergia Alata (Plant) Rel Props:Reference:
204. Outgoing r'ship FOUND_IN to/from Thunbergia Laurifolia (Plant) Rel Props:Reference:
205. Outgoing r'ship FOUND_IN to/from Trifolium Alexandrinum (Plant) Rel Props:Reference:
206. Outgoing r'ship FOUND_IN to/from Trifolium Alexandrium (Plant) Rel Props:Reference:
207. Outgoing r'ship FOUND_IN to/from Trifolium Apertum (Plant) Rel Props:Reference:
208. Outgoing r'ship FOUND_IN to/from Trifolium Diffusum (Plant) Rel Props:Reference:
209. Outgoing r'ship FOUND_IN to/from Trifolium Dubium (Plant) Rel Props:Reference:
210. Outgoing r'ship FOUND_IN to/from Trifolium Fragiferum (Plant) Rel Props:Reference:
211. Outgoing r'ship FOUND_IN to/from Trifolium Fruticosa (Plant) Rel Props:Reference:
212. Outgoing r'ship FOUND_IN to/from Trifolium Hybridum (Plant) Rel Props:Reference:
213. Outgoing r'ship FOUND_IN to/from Trifolium Montanum (Plant) Rel Props:Reference:
214. Outgoing r'ship FOUND_IN to/from Trifolium Pannonicum (Plant) Rel Props:Reference:
215. Outgoing r'ship FOUND_IN to/from Trifolium Pratense (Plant) Rel Props:Reference:
216. Outgoing r'ship FOUND_IN to/from Trifolium Pretense (Plant) Rel Props:Reference:
217. Outgoing r'ship FOUND_IN to/from Trifolium Repens (Plant) Rel Props:Reference:
218. Outgoing r'ship FOUND_IN to/from Trifolium Resupinatum (Plant) Rel Props:Reference:
219. Outgoing r'ship FOUND_IN to/from Trifolium Strepens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
220. Outgoing r'ship FOUND_IN to/from Trifolium Subterraneum (Plant) Rel Props:Reference:
221. Outgoing r'ship FOUND_IN to/from Ulmus Glabra (Plant) Rel Props:Reference:
222. Outgoing r'ship FOUND_IN to/from Virola Oleifera (Plant) Rel Props:Reference:
223. Outgoing r'ship FOUND_IN to/from Waldheimia Glabra (Plant) Rel Props:Reference:

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Phytochemical Properties

Associated Connections 223

Plant Connections 223