Artepillin C

PubChem CID: 5472440

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Compound Synonyms	Artepillin C, 72944-19-5, artepillin, (E)-3-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]prop-2-enoic acid, CCRIS 8746, 3-(4-Hydroxy-3,5-bis(3-methyl-2-butenyl)phenyl)-2-propenoic acid, 2-Propenoic acid, 3-(4-hydroxy-3,5-bis(3-methyl-2-butenyl)phenyl)-, (E)-, ArtepillinC, CHEMBL456309, GTPL6302, SCHEMBL1229229, KABCFARPAMSXCC-JXMROGBWSA-N, DTXSID201317933, BDBM50362836, HY-N10319, NSC718732, AT37734, FS-6839, NSC-718732, DA-71049, CS-0379815, Q27074514, (2E)-3-[4-HYDROXY-3,5-BIS(3-METHYLBUT-2-EN-1-YL)PHENYL]PROP-2-ENOIC ACID
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	57.5
Hydrogen Bond Donor Count	2.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	C1CCCCC1
Np Classifier Class	Cinnamic acids and derivatives
Deep Smiles	CC=CCccc/C=C/C=O)O))))ccc6O))CC=CC)C)))))))))))C
Heavy Atom Count	22.0
Classyfire Class	Cinnamic acids and derivatives
Scaffold Graph Node Level	C1CCCCC1
Classyfire Subclass	Hydroxycinnamic acids and derivatives
Isotope Atom Count	0.0
Molecular Complexity	421.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Uniprot Id	n.a., P15121, O60218, P42330, P17516, P52895, Q04828, Q13153
Iupac Name	(E)-3-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]prop-2-enoic acid
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Phenylpropanoids and polyketides
Target Id	NPT41, NPT1270, NPT3504, NPT3120
Xlogp	5.4
Gsk 4 400 Rule	False
Molecular Formula	C19H24O3
Scaffold Graph Node Bond Level	c1ccccc1
Prediction Swissadme	0.0
Inchi Key	KABCFARPAMSXCC-JXMROGBWSA-N
Silicos It Class	Soluble
Fcsp3	0.3157894736842105
Logs	-4.699
Rotatable Bond Count	6.0
Logd	3.916
Synonyms	artepillin, artepillin c
Esol Class	Moderately soluble
Functional Groups	CC=C(C)C, c/C=C/C(=O)O, cO
Compound Name	Artepillin C
Prediction Hob Swissadme	0.0
Exact Mass	300.173
Formal Charge	0.0
Monoisotopic Mass	300.173
Hydrogen Bond Acceptor Count	3.0
Molecular Weight	300.4
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	0.0
Total Bond Stereocenter Count	1.0
Lipinski Rule Of 5	True
Esol	-5.704136181818182
Inchi	InChI=1S/C19H24O3/c1-13(2)5-8-16-11-15(7-10-18(20)21)12-17(19(16)22)9-6-14(3)4/h5-7,10-12,22H,8-9H2,1-4H3,(H,20,21)/b10-7+
Smiles	CC(=CCC1=CC(=CC(=C1O)CC=C(C)C)/C=C/C(=O)O)C
Nring	1.0
Np Classifier Biosynthetic Pathway	Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count	1.0
Egan Rule	True
Np Classifier Superclass	Phenylpropanoids (C6-C3)

1. Outgoing r'ship FOUND_IN to/from Acalypha Paniculata (Plant) Rel Props:Reference:
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59. Outgoing r'ship FOUND_IN to/from Artemisia Macrocephala (Plant) Rel Props:Reference:
60. Outgoing r'ship FOUND_IN to/from Artemisia Maderaspatana (Plant) Rel Props:Reference:
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62. Outgoing r'ship FOUND_IN to/from Artemisia Mesatlantica (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Artemisia Mexicana (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Artemisia Minor (Plant) Rel Props:Reference:
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68. Outgoing r'ship FOUND_IN to/from Artemisia Montana (Plant) Rel Props:Reference:
69. Outgoing r'ship FOUND_IN to/from Artemisia Moorcroftiana (Plant) Rel Props:Reference:
70. Outgoing r'ship FOUND_IN to/from Artemisia Myriantha (Plant) Rel Props:Reference:
71. Outgoing r'ship FOUND_IN to/from Artemisia Niirica (Plant) Rel Props:Reference:
72. Outgoing r'ship FOUND_IN to/from Artemisia Nilagirica (Plant) Rel Props:Reference:
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76. Outgoing r'ship FOUND_IN to/from Artemisia Pectinata (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Artemisia Pedemontana (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Artemisia Persica (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Artemisia Porrecta (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Artemisia Princeps (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Artemisia Rehan (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Artemisia Roxbugiana (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Artemisia Roxburghiana (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Artemisia Rubripes (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Artemisia Rupestris (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Artemisia Rutifolia (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Artemisia Salsoloides (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Artemisia Schimperi (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Artemisia Schmidtiana (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Artemisia Schrenkiana (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Artemisia Scoparia (Plant) Rel Props:Reference:ISBN:9788185042053
92. Outgoing r'ship FOUND_IN to/from Artemisia Sieversiana (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Artemisia Siversiana (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Artemisia Stracheyi (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Artemisia Sylvatica (Plant) Rel Props:Reference:
96. Outgoing r'ship FOUND_IN to/from Artemisia Taurica (Plant) Rel Props:Reference:
97. Outgoing r'ship FOUND_IN to/from Artemisia Tournefortiana (Plant) Rel Props:Reference:
98. Outgoing r'ship FOUND_IN to/from Artemisia Tridentata (Plant) Rel Props:Reference:
99. Outgoing r'ship FOUND_IN to/from Artemisia Umbelliformis (Plant) Rel Props:Reference:
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101. Outgoing r'ship FOUND_IN to/from Artemisia Vachanica (Plant) Rel Props:Reference:
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109. Outgoing r'ship FOUND_IN to/from Cedrela Salvadorensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
110. Outgoing r'ship FOUND_IN to/from Cedrela Toona (Plant) Rel Props:Reference:
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123. Outgoing r'ship FOUND_IN to/from Garcinia Atroviridis (Plant) Rel Props:Reference:
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189. Outgoing r'ship FOUND_IN to/from Licaria Brasiliensis (Plant) Rel Props:Reference:
190. Outgoing r'ship FOUND_IN to/from Licaria Chrysophylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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193. Outgoing r'ship FOUND_IN to/from Meconopsis Paniculata (Plant) Rel Props:Reference:
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200. Outgoing r'ship FOUND_IN to/from Ormosia Hosiei (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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202. Outgoing r'ship FOUND_IN to/from Ornithoglossum Viride (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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204. Outgoing r'ship FOUND_IN to/from Oxyspora Paniculata (Plant) Rel Props:Reference:
205. Outgoing r'ship FOUND_IN to/from Petasites Albus (Plant) Rel Props:Reference:
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209. Outgoing r'ship FOUND_IN to/from Petasites Kablikianus (Plant) Rel Props:Reference:
210. Outgoing r'ship FOUND_IN to/from Petasites Laevigatus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
211. Outgoing r'ship FOUND_IN to/from Petasites Niveus (Plant) Rel Props:Reference:
212. Outgoing r'ship FOUND_IN to/from Petasites Officinalis (Plant) Rel Props:Reference:
213. Outgoing r'ship FOUND_IN to/from Polygonum Affine (Plant) Rel Props:Reference:
214. Outgoing r'ship FOUND_IN to/from Polypodium Aureum (Plant) Rel Props:Reference:
215. Outgoing r'ship FOUND_IN to/from Polypodium Glycyrrhiza (Plant) Rel Props:Reference:
216. Outgoing r'ship FOUND_IN to/from Polypodium Vulgare (Plant) Rel Props:Reference:
217. Outgoing r'ship FOUND_IN to/from Porana Paniculata (Plant) Rel Props:Reference:
218. Outgoing r'ship FOUND_IN to/from Protea Mellifera (Plant) Rel Props:Reference:
219. Outgoing r'ship FOUND_IN to/from Pseudognaphalium Affine (Plant) Rel Props:Reference:
220. Outgoing r'ship FOUND_IN to/from Rubia Akane (Plant) Rel Props:Reference:
221. Outgoing r'ship FOUND_IN to/from Rubia Cordifolia (Plant) Rel Props:Reference:
222. Outgoing r'ship FOUND_IN to/from Rubia Manjith (Plant) Rel Props:Reference:
223. Outgoing r'ship FOUND_IN to/from Rubia Oncotricha (Plant) Rel Props:Reference:
224. Outgoing r'ship FOUND_IN to/from Rubia Schumanniana (Plant) Rel Props:Reference:
225. Outgoing r'ship FOUND_IN to/from Rubia Schumannina (Plant) Rel Props:Reference:
226. Outgoing r'ship FOUND_IN to/from Rubia Sikkimensis (Plant) Rel Props:Reference:
227. Outgoing r'ship FOUND_IN to/from Rubia Tetragona (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
228. Outgoing r'ship FOUND_IN to/from Rubia Tinctorum (Plant) Rel Props:Reference:
229. Outgoing r'ship FOUND_IN to/from Rubia Ustulata (Plant) Rel Props:Reference:
230. Outgoing r'ship FOUND_IN to/from Rubia Wallichiana (Plant) Rel Props:Reference:
231. Outgoing r'ship FOUND_IN to/from Rubia Yunnanensis (Plant) Rel Props:Reference:
232. Outgoing r'ship FOUND_IN to/from Salvia Mellifera (Plant) Rel Props:Reference:
233. Outgoing r'ship FOUND_IN to/from Sasa Paniculata (Plant) Rel Props:Reference:
234. Outgoing r'ship FOUND_IN to/from Schizanthus Tricolor (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
235. Outgoing r'ship FOUND_IN to/from Schlumbergera Truncata (Plant) Rel Props:Reference:
236. Outgoing r'ship FOUND_IN to/from Senegalia Mellifera (Plant) Rel Props:Reference:
237. Outgoing r'ship FOUND_IN to/from Sophora Alopecuroides (Plant) Rel Props:Reference:
238. Outgoing r'ship FOUND_IN to/from Sophora Angustifolia (Plant) Rel Props:Reference:
239. Outgoing r'ship FOUND_IN to/from Sophora Chrysophylla (Plant) Rel Props:Reference:
240. Outgoing r'ship FOUND_IN to/from Sophora Davidii (Plant) Rel Props:Reference:
241. Outgoing r'ship FOUND_IN to/from Sophora Exigua (Plant) Rel Props:Reference:
242. Outgoing r'ship FOUND_IN to/from Sophora Flavescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
243. Outgoing r'ship FOUND_IN to/from Sophora Franchetiana (Plant) Rel Props:Reference:
244. Outgoing r'ship FOUND_IN to/from Sophora Glauca (Plant) Rel Props:Reference:
245. Outgoing r'ship FOUND_IN to/from Sophora Japonica (Plant) Rel Props:Reference:
246. Outgoing r'ship FOUND_IN to/from Sophora Leachiana (Plant) Rel Props:Reference:
247. Outgoing r'ship FOUND_IN to/from Sophora Mollis (Plant) Rel Props:Reference:
248. Outgoing r'ship FOUND_IN to/from Sophora Moorcroftiana (Plant) Rel Props:Reference:
249. Outgoing r'ship FOUND_IN to/from Sophora Pachycarpa (Plant) Rel Props:Reference:
250. Outgoing r'ship FOUND_IN to/from Sophora Secundiflora (Plant) Rel Props:Reference:
251. Outgoing r'ship FOUND_IN to/from Sophora Tetraptera (Plant) Rel Props:Reference:
252. Outgoing r'ship FOUND_IN to/from Sophora Tomentosa (Plant) Rel Props:Reference:
253. Outgoing r'ship FOUND_IN to/from Sophora Tometosa (Plant) Rel Props:Reference:
254. Outgoing r'ship FOUND_IN to/from Sophora Tonkinensis (Plant) Rel Props:Reference:
255. Outgoing r'ship FOUND_IN to/from Sophora Velutina (Plant) Rel Props:Reference:
256. Outgoing r'ship FOUND_IN to/from Sophora Viciifolia (Plant) Rel Props:Reference:
257. Outgoing r'ship FOUND_IN to/from Sophora Wightii (Plant) Rel Props:Reference:
258. Outgoing r'ship FOUND_IN to/from Sphaeranthus Africanus (Plant) Rel Props:Reference:
259. Outgoing r'ship FOUND_IN to/from Sphaeranthus Amaranthoides (Plant) Rel Props:Reference:
260. Outgoing r'ship FOUND_IN to/from Sphaeranthus Confertifolius (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
261. Outgoing r'ship FOUND_IN to/from Sphaeranthus Hirtus (Plant) Rel Props:Reference:
262. Outgoing r'ship FOUND_IN to/from Sphaeranthus Indicus (Plant) Rel Props:Reference:
263. Outgoing r'ship FOUND_IN to/from Sphaeranthus Senegalensis (Plant) Rel Props:Reference:
264. Outgoing r'ship FOUND_IN to/from Spilanthes Paniculata (Plant) Rel Props:Reference:
265. Outgoing r'ship FOUND_IN to/from Stevia Paniculata (Plant) Rel Props:Reference:
266. Outgoing r'ship FOUND_IN to/from Swertia Paniculata (Plant) Rel Props:Reference:
267. Outgoing r'ship FOUND_IN to/from Symplocos Paniculata (Plant) Rel Props:Reference:
268. Outgoing r'ship FOUND_IN to/from Terminalia Paniculata (Plant) Rel Props:Reference:
269. Outgoing r'ship FOUND_IN to/from Tetraria Capillaris (Plant) Rel Props:Reference:
270. Outgoing r'ship FOUND_IN to/from Veratrum Viride (Plant) Rel Props:Reference:
271. Outgoing r'ship FOUND_IN to/from Viola Tricolor (Plant) Rel Props:Reference:
272. Outgoing r'ship FOUND_IN to/from Vitex Paniculata (Plant) Rel Props:Reference:
273. Outgoing r'ship FOUND_IN to/from Wendlandia Paniculata (Plant) Rel Props:Reference:
274. Outgoing r'ship FOUND_IN to/from Xanthophyllum Flavescens (Plant) Rel Props:Reference:

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Associated Connections 274

Plant Connections 274