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(Z)-Methyl cinnamate

PubChem CID: 6428458

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Compound Synonyms (Z)-Methyl cinnamate, Methyl cis-cinnamate, Methyl cis-3-phenylacrylate, cis-Methyl 3-phenyl-2-propenoate, Methyl (Z)-cinnamate, 19713-73-6, Methyl cinnamate, (Z)-, UNII-C8O8SZU001, (Z)-Methyl 3-phenylacrylate, C8O8SZU001, 2-Propenoic acid, 3-phenyl-, methyl ester, (2Z)-, (Z)-3-phenyl-2-propenoic acid methyl ester, cis-methyl cinnamate, Methyl cinnamate, (E), Methyl (2E)-3-phenyl-2-propenoate, methyl (Z)-3-phenylprop-2-enoate, Methyl cinnamate, (Z), methyl (Z)-3-phenylacrylate, cis-cinnamic acid methyl ester, Methyl ester(e)-Cinnamic acid, (z)-cinnamic acid methyl ester, SCHEMBL2425288, FEMA 2698, CHEBI:194139, DTXSID401031262, Cinnamic acid, methyl ester, (Z), Cinnamic acid, methyl ester, cis-, (Z)-3-phenyl-acrylic acid methyl ester, (z)-3-phenylpropenoic acid, methyl ester, CINNAMIC ACID,METHYL ESTER (TRANS), 3-Phenyl-methyl ester(E)-2-Propenoic acid, METHYL (2Z)-3-PHENYLPROP-2-ENOATE, 3-Phenyl-methyl ester(2E)-2-propenoic acid, cis-3-phenyl-prop-2-enoic acid methyl ester, Q27275326
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=Ccccccc6
Heavy Atom Count 12.0
Classyfire Class Cinnamic acids and derivatives
Description Occurs in essential oils e.g. from Ocimum and Alpinia subspecies Also present in various fruits, e.g. guava, feijoa, strawberry. Flavouring agent Methyl cinnamate is the methyl ester of cinnamic acid and is a white or transparent solid with a strong, aromatic odor. It is found naturally in a variety of plants, including in fruits, like strawberry, and some culinary spices, such as Sichuan pepper and some varieties of basil. Eucalyptus olida has the highest known concentrations of methyl cinnamate (98%) with a 2-6% fresh weight yield in the leaf and twigs. Methyl cinnamate is found in many foods, some of which are chinese cinnamon, fruits, herbs and spices, and sweet basil.
Scaffold Graph Node Level C1CCCCC1
Classyfire Subclass Cinnamic acid esters
Isotope Atom Count 0.0
Molecular Complexity 167.0
Database Name fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name methyl (Z)-3-phenylprop-2-enoate
Class Cinnamic acids and derivatives
Veber Rule True
Classyfire Superclass Phenylpropanoids and polyketides
Xlogp 2.6
Superclass Phenylpropanoids and polyketides
Subclass Cinnamic acid esters
Gsk 4 400 Rule True
Molecular Formula C10H10O2
Scaffold Graph Node Bond Level c1ccccc1
Inchi Key CCRCUPLGCSFEDV-FPLPWBNLSA-N
Silicos It Class Soluble
Rotatable Bond Count 3.0
State Solid
Synonyms 2-propenoic acid, 3-phenyl-, methyl ester, (2E)-, 2-Propenoic acid, 3-phenyl-, methyl ester, (E)-, 3-Phenyl-methyl ester(2e)-2-propenoic acid, 3-Phenyl-methyl ester(e)-2-propenoic acid, Cinnamic acid, methyl ester, (e)-, Cinnamic acid,methyl ester (trans), FEMA 2698, Methyl (2E)-3-phenyl-2-propenoate, Methyl (2E)-3-phenylacrylate, Methyl (e)-cinnamate, Methyl cinnamate, (e), Methyl ester(e)-cinnamic acid, Methyl trans-cinnamate, Trans-methyl cinnamate, Methyl cinnamic acid, 3-Phenyl-methyl ester(2E)-2-propenoic acid, trans-Methyl cinnamate, Methyl (2Z)-3-phenylprop-2-enoic acid, (z )-methyl cinnamate, (z )-methylcinnamate, (z)-methyl cinnamate, (z)-methylcinnamate, methyl (z)-cinnamate, methyl(z)-cinnamate, methyl-(z)-cinnamate, z-methyl cinnamate
Esol Class Soluble
Functional Groups c/C=CC(=O)OC
Compound Name (Z)-Methyl cinnamate
Kingdom Organic compounds
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
Molecular Framework Aromatic homomonocyclic compounds
Lipinski Rule Of 5 True
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
Np Classifier Biosynthetic Pathway Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count 1.0
Egan Rule True
Taxonomy Direct Parent Cinnamic acid esters
Np Classifier Superclass Phenylpropanoids (C6-C3)

  • 1. Outgoing r'ship FOUND_IN to/from Alpinia Calcarata (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2005.9698877
  • 2. Outgoing r'ship FOUND_IN to/from Alpinia Galanga (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2002.9699900
  • 3. Outgoing r'ship FOUND_IN to/from Alpinia Zerumbet (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199911/12)14:6<411::aid-ffj854>3.0.co;2-u
  • 4. Outgoing r'ship FOUND_IN to/from Artemisia Judaica (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730070204
  • 5. Outgoing r'ship FOUND_IN to/from Artemisia Salsoloides (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730070603
  • 6. Outgoing r'ship FOUND_IN to/from Carthamus Tinctorius (Plant) Rel Props:Source_db:fooddb_chem_all
  • 7. Outgoing r'ship FOUND_IN to/from Cassia Grandis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2010.9700409
  • 8. Outgoing r'ship FOUND_IN to/from Cinnamomum Aromaticum (Plant) Rel Props:Source_db:fooddb_chem_all
  • 9. Outgoing r'ship FOUND_IN to/from Cinnamomum Glaucescens (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1992.9698037
  • 10. Outgoing r'ship FOUND_IN to/from Cinnamomum Tamala (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644123
  • 11. Outgoing r'ship FOUND_IN to/from Cinnamomum Verum (Plant) Rel Props:Source_db:fooddb_chem_all
  • 12. Outgoing r'ship FOUND_IN to/from Cuminum Cyminum (Plant) Rel Props:Source_db:fooddb_chem_all
  • 13. Outgoing r'ship FOUND_IN to/from Laurus Nobilis (Plant) Rel Props:Source_db:fooddb_chem_all
  • 14. Outgoing r'ship FOUND_IN to/from Moringa Oleifera (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2013.813189
  • 15. Outgoing r'ship FOUND_IN to/from Myrtus Communis (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1200
  • 16. Outgoing r'ship FOUND_IN to/from Ocimum Americanum (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1217
  • 17. Outgoing r'ship FOUND_IN to/from Ocimum Basilicum (Plant) Rel Props:Source_db:fooddb_chem_all
  • 18. Outgoing r'ship FOUND_IN to/from Ocimum Campechianum (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1374
  • 19. Outgoing r'ship FOUND_IN to/from Ocimum Gratissimum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2017.1371087
  • 20. Outgoing r'ship FOUND_IN to/from Ocimum Tenuiflorum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2012.751057
  • 21. Outgoing r'ship FOUND_IN to/from Piper Nigrum (Plant) Rel Props:Source_db:fooddb_chem_all
  • 22. Outgoing r'ship FOUND_IN to/from Pogostemon Heyneanus (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2010.10643833
  • 23. Outgoing r'ship FOUND_IN to/from Psidium Guajava (Plant) Rel Props:Source_db:fooddb_chem_all
  • 24. Outgoing r'ship FOUND_IN to/from Rosmarinus Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1995.9698467
  • 25. Outgoing r'ship FOUND_IN to/from Zanthoxylum Armatum (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1024
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