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Methyl Cinnamate

PubChem CID: 637520

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Compound Synonyms Methyl cinnamate, 103-26-4, Methyl trans-cinnamate, 1754-62-7, Methyl (E)-cinnamate, Cinnamic acid methyl ester, Methyl (E)-3-phenylprop-2-enoate, Methyl 3-phenylpropenoate, Methyl cinnamylate, Methyl 3-phenylacrylate, Methylcinnamate, methyl-3-phenylprop-2-enoate, trans-Methyl cinnamate, (E)-Methyl cinnamate, FEMA No. 2698, Methyl cinnamate (natural), CINNAMIC ACID, METHYL ESTER, Methyl trans-3-phenyl-2-propenoate, Methyl 3-phenyl-2-propenoate, methyl (2E)-3-phenylprop-2-enoate, SemaSORB 9815, trans-Cinnamic acid methyl ester, NSC 9411, 2-Propenoic acid, 3-phenyl-, methyl ester, 2-propenoic acid, 3-phenyl-, methyl ester, (2E)-, EINECS 203-093-8, 533CV2ZCQL, AI3-00579, Methyl (E)-3-phenyl-2-propenoate, NSC-9411, 2-PROPENOIC ACID, 3-PHENYL-, METHYL ESTER, (E)-, trans-Methyl 3-Phenyl-2-propenoate, Cinnamic acid, methyl ester, (E)-, MFCD00008458, (E)-3-Phenylacrylic acid methyl ester, METHYL CINNAMATE [FCC], CHEBI:6857, Methyl (2E)-3-phenylacrylate, Methyl (E)-3-phenylpropenoate, METHYL CINNAMATE [FHFI], DTXCID5028118, DTXSID5044314, DTXSID6042151, METHYL CINNAMATE, (E)-, 3-Phenyl-2-propenoic acid methyl, EC 203-093-8, 3-Phenyl-2-propenoic acid methyl ester, CINNAMIC ACID METHYL ESTER [MI], methyl 3-phenylprop-2-enoate, cis-methyl cinnamate, Methyl cinnamate, (E), UNII-533CV2ZCQL, Methyl (2E)-3-phenyl-2-propenoate, Methyl(E)-cinnamate, methyl trans cinnamate, methyl-trans-cinnamate, Methyl 3phenylacrylate, Methyl 3phenylpropenoate, Methyl 3phenyl2propenoate, WLN: 1OV1U1R, ghl.PD_Mitscher_leg0.369, CHEMBL55060, Methyl trans-3-Phenylacrylate, Methyl trans-cinnamate, 99%, SCHEMBL101530, (e)-cinnamic acid methyl ester, DTXCID4022151, Methyl (2E)-3-phenylpropenoate, NSC9411, CHEBI:194138, Tox21_301384, Tox21_304025, s6221, STL582416, Methyl cinnamate, >=99.0% (GC), AKOS015890136, CS-W017928, FM30860, HY-W017212, 2Propenoic acid, 3phenyl, methyl ester, Methyl (2E)-3-phenyl-2-propenoate #, trans-3-Phenylacrylic Acid Methyl Ester, NCGC00255910-01, NCGC00357235-01, CAS-103-26-4, DA-65377, DS-17838, LS-13765, CAS-1754-62-7, Methyl trans-cinnamate, analytical standard, Methyl trans-cinnamate, >=98%, FCC, FG, (E)-3-Phenyl-2-propenoic acid methyl ester, (E)-methyl ester 3-phenyl-2-propenoic acid, NS00001299, (2E)-3-Phenyl-2-propenoic acid methyl ester, EN300-91678, trans-3-Phenyl-2-propenoic acid methyl ester, C06358, EN300-365971, Methyl cinnamate, analytical reference material, Methyl cinnamate, natural, >=98%, FCC, FG, P16737, trans-3-phenyl-prop-2-enoic acid methyl ester, Q204178, Z19782655, InChI=1/C10H10O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-8H,1H3/b8-7, 203-093-8, 642-005-6
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 26.3
Hydrogen Bond Donor Count 0.0
Pfizer 3 75 Rule False
Scaffold Graph Level C1CCCCC1
Np Classifier Class Cinnamic acids and derivatives
Deep Smiles COC=O)/C=C/cccccc6
Heavy Atom Count 12.0
Classyfire Class Cinnamic acids and derivatives
Description Flavouring compound [Flavornet]
Scaffold Graph Node Level C1CCCCC1
Classyfire Subclass Cinnamic acid esters
Isotope Atom Count 0.0
Molecular Complexity 167.0
Database Name cmaup_ingredients;fooddb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P47199, n.a., A0A0C7ACN7
Iupac Name methyl (E)-3-phenylprop-2-enoate
Prediction Hob 1.0
Veber Rule True
Classyfire Superclass Phenylpropanoids and polyketides
Xlogp 2.6
Gsk 4 400 Rule True
Molecular Formula C10H10O2
Scaffold Graph Node Bond Level c1ccccc1
Prediction Swissadme 0.0
Inchi Key CCRCUPLGCSFEDV-BQYQJAHWSA-N
Silicos It Class Soluble
Fcsp3 0.1
Logs -2.787
Rotatable Bond Count 3.0
Logd 2.818
Synonyms (e)-methyl cinnamate, (e)-methyl-cinnamate, cinnamic-acid-methyl-ester, me-cinnamate, methyl (e)-cinnamate, methyl (e)-cinnamate (9), methyl cinnamate, methyl(e)-cinnamate, methyl-cinnamate, methylcinnamate, methyltrans-cinnamate, trans-methyl cinnamate
Esol Class Soluble
Functional Groups c/C=C/C(=O)OC
Compound Name Methyl Cinnamate
Prediction Hob Swissadme 0.0
Exact Mass 162.068
Formal Charge 0.0
Monoisotopic Mass 162.068
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 162.18
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 -2.6681656000000005
Inchi InChI=1S/C10H10O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-8H,1H3/b8-7+
Smiles COC(=O)/C=C/C1=CC=CC=C1
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)

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  • 146. Outgoing r'ship FOUND_IN to/from Pogostemon Heyneanus (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2010.10643833
  • 147. Outgoing r'ship FOUND_IN to/from Prunus Speciosa (Plant) Rel Props:Reference:
  • 148. Outgoing r'ship FOUND_IN to/from Psidium Guajava (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2007.10643568
  • 149. Outgoing r'ship FOUND_IN to/from Renealmia Alpinia (Plant) Rel Props:Reference:
  • 150. Outgoing r'ship FOUND_IN to/from Ribes Rubrum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2018.1547226
  • 151. Outgoing r'ship FOUND_IN to/from Rosmarinus Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1995.9698467
  • 152. Outgoing r'ship FOUND_IN to/from Saccharum Officinarum (Plant) Rel Props:Reference:
  • 153. Outgoing r'ship FOUND_IN to/from Salacia Elliptica (Plant) Rel Props:Reference:
  • 154. Outgoing r'ship FOUND_IN to/from Salix Acomphylla (Plant) Rel Props:Reference:
  • 155. Outgoing r'ship FOUND_IN to/from Salix Alba (Plant) Rel Props:Reference:
  • 156. Outgoing r'ship FOUND_IN to/from Salix Babylonica (Plant) Rel Props:Reference:
  • 157. Outgoing r'ship FOUND_IN to/from Salix Caprea (Plant) Rel Props:Reference:
  • 158. Outgoing r'ship FOUND_IN to/from Salix Daphnoides (Plant) Rel Props:Source_db:npass_chem_all
  • 159. Outgoing r'ship FOUND_IN to/from Salix Fragilis (Plant) Rel Props:Reference:
  • 160. Outgoing r'ship FOUND_IN to/from Salix Japonica (Plant) Rel Props:Reference:
  • 161. Outgoing r'ship FOUND_IN to/from Salix Lindleyana (Plant) Rel Props:Reference:
  • 162. Outgoing r'ship FOUND_IN to/from Salix Matsudana (Plant) Rel Props:Reference:
  • 163. Outgoing r'ship FOUND_IN to/from Salix Nigra (Plant) Rel Props:Reference:
  • 164. Outgoing r'ship FOUND_IN to/from Salix Petiolaris (Plant) Rel Props:Reference:
  • 165. Outgoing r'ship FOUND_IN to/from Salix Pycnostachya (Plant) Rel Props:Reference:
  • 166. Outgoing r'ship FOUND_IN to/from Salix Rosmarinifolia (Plant) Rel Props:Reference:
  • 167. Outgoing r'ship FOUND_IN to/from Salix Sieboldiana (Plant) Rel Props:Reference:
  • 168. Outgoing r'ship FOUND_IN to/from Salix Tetrasperma (Plant) Rel Props:Reference:
  • 169. Outgoing r'ship FOUND_IN to/from Salix Viminalis (Plant) Rel Props:Reference:
  • 170. Outgoing r'ship FOUND_IN to/from Schinus Molle (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1997.9700813
  • 171. Outgoing r'ship FOUND_IN to/from Seriphidium Brevifolium (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1992.9698005
  • 172. Outgoing r'ship FOUND_IN to/from Sesbania Speciosa (Plant) Rel Props:Reference:
  • 173. Outgoing r'ship FOUND_IN to/from Spondias Mombin (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2005.9698933
  • 174. Outgoing r'ship FOUND_IN to/from Strobilanthes Callosus (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1992.9698062
  • 175. Outgoing r'ship FOUND_IN to/from Styrax (Plant) Rel Props:Reference:
  • 176. Outgoing r'ship FOUND_IN to/from Styrax Agrestis (Plant) Rel Props:Reference:
  • 177. Outgoing r'ship FOUND_IN to/from Styrax Benzoin (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 178. Outgoing r'ship FOUND_IN to/from Styrax Ferrugineus (Plant) Rel Props:Reference:
  • 179. Outgoing r'ship FOUND_IN to/from Styrax Formosanus (Plant) Rel Props:Reference:
  • 180. Outgoing r'ship FOUND_IN to/from Styrax Hookeri (Plant) Rel Props:Reference:
  • 181. Outgoing r'ship FOUND_IN to/from Styrax Japonicus (Plant) Rel Props:Reference:
  • 182. Outgoing r'ship FOUND_IN to/from Styrax Obassia (Plant) Rel Props:Reference:
  • 183. Outgoing r'ship FOUND_IN to/from Styrax Officinalis (Plant) Rel Props:Reference:
  • 184. Outgoing r'ship FOUND_IN to/from Styrax Perkinsiae (Plant) Rel Props:Reference:
  • 185. Outgoing r'ship FOUND_IN to/from Styrax Rulatum (Plant) Rel Props:Reference:
  • 186. Outgoing r'ship FOUND_IN to/from Styrax Serrulatum (Plant) Rel Props:Reference:
  • 187. Outgoing r'ship FOUND_IN to/from Styrax Tonkinensis (Plant) Rel Props:Reference:
  • 188. Outgoing r'ship FOUND_IN to/from Syzygium Cumini (Plant) Rel Props:Reference:ISBN:9788172363093
  • 189. Outgoing r'ship FOUND_IN to/from Taxus Wallichiana (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644112
  • 190. Outgoing r'ship FOUND_IN to/from Telekia Speciosa (Plant) Rel Props:Reference:
  • 191. Outgoing r'ship FOUND_IN to/from Terminalia Elliptica (Plant) Rel Props:Reference:
  • 192. Outgoing r'ship FOUND_IN to/from Trifolium Pratense (Plant) Rel Props:Reference:ISBN:9788185042114
  • 193. Outgoing r'ship FOUND_IN to/from Trigonella Incisa (Plant) Rel Props:Reference:
  • 194. Outgoing r'ship FOUND_IN to/from Uncaria Elliptica (Plant) Rel Props:Reference:
  • 195. Outgoing r'ship FOUND_IN to/from Ursinia Speciosa (Plant) Rel Props:Reference:
  • 196. Outgoing r'ship FOUND_IN to/from Urtica Magellanica (Plant) Rel Props:Reference:
  • 197. Outgoing r'ship FOUND_IN to/from Zanthoxylum Acanthopodium (Plant) Rel Props:Reference:ISBN:9780387706375; ISBN:9788172360818
  • 198. Outgoing r'ship FOUND_IN to/from Zanthoxylum Acutifolium (Plant) Rel Props:Reference:
  • 199. Outgoing r'ship FOUND_IN to/from Zanthoxylum Ailanthoides (Plant) Rel Props:Reference:
  • 200. Outgoing r'ship FOUND_IN to/from Zanthoxylum Americanum (Plant) Rel Props:Reference:
  • 201. Outgoing r'ship FOUND_IN to/from Zanthoxylum Armatum (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279
  • 202. Outgoing r'ship FOUND_IN to/from Zanthoxylum Arnottianum (Plant) Rel Props:Reference:
  • 203. Outgoing r'ship FOUND_IN to/from Zanthoxylum Avicennae (Plant) Rel Props:Reference:
  • 204. Outgoing r'ship FOUND_IN to/from Zanthoxylum Belizense (Plant) Rel Props:Reference:
  • 205. Outgoing r'ship FOUND_IN to/from Zanthoxylum Brachyacanthum (Plant) Rel Props:Reference:
  • 206. Outgoing r'ship FOUND_IN to/from Zanthoxylum Budrunga (Plant) Rel Props:Reference:
  • 207. Outgoing r'ship FOUND_IN to/from Zanthoxylum Bungeanum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 208. Outgoing r'ship FOUND_IN to/from Zanthoxylum Chiloperone (Plant) Rel Props:Reference:
  • 209. Outgoing r'ship FOUND_IN to/from Zanthoxylum Chiriquinum (Plant) Rel Props:Reference:
  • 210. Outgoing r'ship FOUND_IN to/from Zanthoxylum Cuspidatum (Plant) Rel Props:Reference:
  • 211. Outgoing r'ship FOUND_IN to/from Zanthoxylum Decaryi (Plant) Rel Props:Reference:
  • 212. Outgoing r'ship FOUND_IN to/from Zanthoxylum Dipetalum (Plant) Rel Props:Reference:
  • 213. Outgoing r'ship FOUND_IN to/from Zanthoxylum Dissitum (Plant) Rel Props:Reference:
  • 214. Outgoing r'ship FOUND_IN to/from Zanthoxylum Echinocarpum (Plant) Rel Props:Reference:
  • 215. Outgoing r'ship FOUND_IN to/from Zanthoxylum Elephantiasis (Plant) Rel Props:Reference:
  • 216. Outgoing r'ship FOUND_IN to/from Zanthoxylum Fagara (Plant) Rel Props:Reference:
  • 217. Outgoing r'ship FOUND_IN to/from Zanthoxylum Flavum (Plant) Rel Props:Reference:
  • 218. Outgoing r'ship FOUND_IN to/from Zanthoxylum Fraxineum (Plant) Rel Props:Reference:
  • 219. Outgoing r'ship FOUND_IN to/from Zanthoxylum Hamiltonianum (Plant) Rel Props:Reference:
  • 220. Outgoing r'ship FOUND_IN to/from Zanthoxylum Hostile (Plant) Rel Props:Reference:
  • 221. Outgoing r'ship FOUND_IN to/from Zanthoxylum Integrifoliolum (Plant) Rel Props:Reference:
  • 222. Outgoing r'ship FOUND_IN to/from Zanthoxylum Limonella (Plant) Rel Props:Reference:
  • 223. Outgoing r'ship FOUND_IN to/from Zanthoxylum Monophyllum (Plant) Rel Props:Reference:
  • 224. Outgoing r'ship FOUND_IN to/from Zanthoxylum Myriacanthum (Plant) Rel Props:Reference:
  • 225. Outgoing r'ship FOUND_IN to/from Zanthoxylum Nitidum (Plant) Rel Props:Reference:ISBN:9788185042053
  • 226. Outgoing r'ship FOUND_IN to/from Zanthoxylum Ocumarense (Plant) Rel Props:Reference:
  • 227. Outgoing r'ship FOUND_IN to/from Zanthoxylum Ovalifolium (Plant) Rel Props:Reference:
  • 228. Outgoing r'ship FOUND_IN to/from Zanthoxylum Oxphyllum (Plant) Rel Props:Reference:
  • 229. Outgoing r'ship FOUND_IN to/from Zanthoxylum Oxyphyllum (Plant) Rel Props:Reference:
  • 230. Outgoing r'ship FOUND_IN to/from Zanthoxylum Piperitum (Plant) Rel Props:Source_db:npass_chem_all
  • 231. Outgoing r'ship FOUND_IN to/from Zanthoxylum Planispinum (Plant) Rel Props:Reference:
  • 232. Outgoing r'ship FOUND_IN to/from Zanthoxylum Podocarpum (Plant) Rel Props:Reference:
  • 233. Outgoing r'ship FOUND_IN to/from Zanthoxylum Rhetsa (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2000.9699492
  • 234. Outgoing r'ship FOUND_IN to/from Zanthoxylum Rubescens (Plant) Rel Props:Reference:
  • 235. Outgoing r'ship FOUND_IN to/from Zanthoxylum Schinifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 236. Outgoing r'ship FOUND_IN to/from Zanthoxylum Simulans (Plant) Rel Props:Reference:
  • 237. Outgoing r'ship FOUND_IN to/from Zanthoxylum Spinosum (Plant) Rel Props:Reference:
  • 238. Outgoing r'ship FOUND_IN to/from Zanthoxylum Syncarpum (Plant) Rel Props:Reference:
  • 239. Outgoing r'ship FOUND_IN to/from Zanthoxylum Tetraspermum (Plant) Rel Props:Reference:
  • 240. Outgoing r'ship FOUND_IN to/from Zanthoxylum Triphyllum (Plant) Rel Props:Reference:
  • 241. Outgoing r'ship FOUND_IN to/from Zanthoxylum Tsihanimposa (Plant) Rel Props:Reference:
  • 242. Outgoing r'ship FOUND_IN to/from Zanthoxylum Veneficium (Plant) Rel Props:Reference:
  • 243. Outgoing r'ship FOUND_IN to/from Zingiber Chrysanthum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1992.9698113
  • 244. Outgoing r'ship FOUND_IN to/from Zingiber Officinale (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2002.9699850
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