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p-METHOXYCINNAMALDEHYDE

PubChem CID: 641294

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Compound Synonyms 4-Methoxycinnamaldehyde, 24680-50-0, 1963-36-6, trans-p-Methoxycinnamaldehyde, 3-(4-methoxyphenyl)acrylaldehyde, p-Methoxycinnamaldehyde, (E)-3-(4-Methoxyphenyl)acrylaldehyde, trans-4-Methoxycinnamaldehyde, 2-propenal, 3-(4-methoxyphenyl)-, (2E)-, 3-(4-Methoxyphenyl)-2-propenal, p-Methoxycinnamic aldehyde, p-Methoxy cinnamaldehyde, Methoxycinnamaldehyde, p-, (E)-3-(4-methoxyphenyl)prop-2-enal, Cinnamaldehyde, p-methoxy-, NSC-134287, Cinnamaldehyde, p-methoxy-, (E)-, para-Methoxy cinnamic aldehyde, (2E)-3-(4-methoxyphenyl)acrylaldehyde, FEMA No. 3567, (2E)-3-(4-methoxyphenyl)prop-2-enal, EINECS 217-807-0, NSC 26454, NSC-26454, (E)-4-methoxycinnamaldehyde, AI3-05957, 54098389BL, 2-Propenal, 3-(4-methoxyphenyl)-, (E)-3-(4-methoxyphenyl)-2-propenal, MFCD00017343, UNII-54098389BL, p-Methoxycinnaldehyde, p-methoxy-cinnamaldehyde, 4-methoxy-cinnamaldehyde, Para-methoxy cinnamaldehyde, bmse010142, ghl.PD_Mitscher_leg0.403, SCHEMBL514958, trans-4-methoxy cinnamaldehyde, CHEMBL452173, DTXSID1044308, DTXSID7042300, CHEBI:196005, Cinnamaldehyde, p-methoxy-(8CI), Cinnamaldehyde, p-methoxy- (8CI), HY-W013605A, NSC26454, ZAA68050, NSC134287, AKOS015851928, AT28551, FS-4297, (E)-3-(4-methoxyphenyl)-acrylaldehyde, (2E)-3-(4-Methoxyphenyl)-2-propenal, 3-(4-Methoxyphenyl)-(2E)-2-propenal, NCGC00171001-01, DA-49728, (2E)-3-(4-Methoxyphenyl)-2-propenal #, CS-0144244, M1012, NS00012819, EN300-96338, PK04_096267, D82618, trans-p-Methoxycinnamaldehyde, >=98%, stabilized, trans-p-Methoxycinnamaldehyde, analytical standard, BRD-K19243101-001-01-6, Q15410215, 679-263-4
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 COcccccc6))/C=C/C=O
Heavy Atom Count 12.0
Classyfire Class Cinnamaldehydes
Description Isolated from oil of tarragon (Artemisia dracunculus) and other oils. Flavouring ingredient. 3-(4-Methoxyphenyl)-2-propenal is found in many foods, some of which are tarragon, star anise, potato, and sweet basil.
Scaffold Graph Node Level C1CCCCC1
Isotope Atom Count 0.0
Molecular Complexity 155.0
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name (E)-3-(4-methoxyphenyl)prop-2-enal
Prediction Hob 1.0
Class Cinnamaldehydes
Veber Rule True
Classyfire Superclass Phenylpropanoids and polyketides
Xlogp 1.8
Superclass Phenylpropanoids and polyketides
Gsk 4 400 Rule True
Molecular Formula C10H10O2
Scaffold Graph Node Bond Level c1ccccc1
Prediction Swissadme 0.0
Inchi Key AXCXHFKZHDEKTP-NSCUHMNNSA-N
Silicos It Class Soluble
Fcsp3 0.1
Logs -2.712
Rotatable Bond Count 3.0
State Solid
Logd 1.782
Synonyms (2E)-3-(4-methoxyphenyl)-2-propenal, (2E)-3-(4-methoxyphenyl)acrylaldehyde, 2-Propenal, 3-(4-methoxyphenyl)-, 2-propenal, 3-(4-methoxyphenyl)-, (2E)-, 3-(4-Methoxyphenyl)-(2e)-2-propenal, 3-(4-Methoxyphenyl)-2-propenal, 3-(4-methoxyphenyl)acrylaldehyde, 4-methoxycinnamaldehyde, Cinnamaldehyde, p-methoxy-, Cinnamaldehyde, p-methoxy- (8CI), FEMA 3567, ghl.PD_Mitscher_leg0.403, Methoxycinnamaldehyde, p-, P-methoxy cinnamaldehyde, P-Methoxy-cinnamaldehyde, p-Methoxycinnamaldehyde, P-methoxycinnamic aldehyde, Para-methoxy cinnamic aldehyde, trans-4-Methoxycinnamaldehyde, Trans-p-methoxycinnamaldehyde, 4-Methoxycinnamaldehyde, (2E)-3-(4-Methoxyphenyl)-2-propenal, (2E)-3-(4-Methoxyphenyl)acrylaldehyde, 3-(4-Methoxyphenyl)-(2E)-2-propenal, 3-(4-Methoxyphenyl)acrylaldehyde, Cinnamaldehyde, P-methoxy- (8ci), P-Methoxy cinnamaldehyde, P-Methoxycinnamaldehyde, P-Methoxycinnamic aldehyde, trans-P-Methoxycinnamaldehyde, 4-Methoxy-cinnamaldehyde, 4-methoxy cinnamaldehyde, 4-methoxycinnamaldehyde, me ether-3-(4-hydroxyphenyl)-2-propenal, p-methoxycinnamaldehyde
Esol Class Soluble
Functional Groups c/C=C/C=O, cOC
Compound Name p-METHOXYCINNAMALDEHYDE
Kingdom Organic compounds
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
Molecular Framework Aromatic homomonocyclic compounds
Lipinski Rule Of 5 True
Esol -2.1704656
Inchi InChI=1S/C10H10O2/c1-12-10-6-4-9(5-7-10)3-2-8-11/h2-8H,1H3/b3-2+
Smiles COC1=CC=C(C=C1)/C=C/C=O
Nring 1.0
Np Classifier Biosynthetic Pathway Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count 1.0
Egan Rule True
Taxonomy Direct Parent Cinnamaldehydes
Np Classifier Superclass Phenylpropanoids (C6-C3)

  • 1. Outgoing r'ship FOUND_IN to/from Abelmoschus Esculentus (Plant) Rel Props:Source_db:npass_chem_all
  • 2. Outgoing r'ship FOUND_IN to/from Acorus Gramineus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 3. Outgoing r'ship FOUND_IN to/from Agastache Rugosa (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1992.9698139
  • 4. Outgoing r'ship FOUND_IN to/from Agastache Rugosus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 5. Outgoing r'ship FOUND_IN to/from Albizia Julibrissin (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 6. Outgoing r'ship FOUND_IN to/from Anacardium Occidentale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 7. Outgoing r'ship FOUND_IN to/from Anchusa Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 8. Outgoing r'ship FOUND_IN to/from Arbutus Unedo (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644105
  • 9. Outgoing r'ship FOUND_IN to/from Artemisia Dracunculus (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all
  • 10. Outgoing r'ship FOUND_IN to/from Asplenium Adiantum-Nigrum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 11. Outgoing r'ship FOUND_IN to/from Averrhoa Carambola (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 12. Outgoing r'ship FOUND_IN to/from Caryopteris Mongholica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 13. Outgoing r'ship FOUND_IN to/from Chelidonium Majus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 14. Outgoing r'ship FOUND_IN to/from Cinnamomum Aromaticum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 15. Outgoing r'ship FOUND_IN to/from Cinnamomum Cassia (Plant) Rel Props:Source_db:npass_chem_all
  • 16. Outgoing r'ship FOUND_IN to/from Crinum Pratense (Plant) Rel Props:Source_db:npass_chem_all
  • 17. Outgoing r'ship FOUND_IN to/from Dalbergia Rubiginosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 18. Outgoing r'ship FOUND_IN to/from Distemonanthus Benthamianus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 19. Outgoing r'ship FOUND_IN to/from Euphorbia Kansui (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 20. Outgoing r'ship FOUND_IN to/from Ferula Ovina (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.884951
  • 21. Outgoing r'ship FOUND_IN to/from Illicium Verum (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all
  • 22. Outgoing r'ship FOUND_IN to/from Limnophila Rugosa (Plant) Rel Props:Source_db:npass_chem_all
  • 23. Outgoing r'ship FOUND_IN to/from Mappia Foetida (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 24. Outgoing r'ship FOUND_IN to/from Mesembryanthemum Tortuosum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 25. Outgoing r'ship FOUND_IN to/from Ocimum Basilicum (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all
  • 26. Outgoing r'ship FOUND_IN to/from Persea Americana (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2006.9699135
  • 27. Outgoing r'ship FOUND_IN to/from Satureja Atropatana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 28. Outgoing r'ship FOUND_IN to/from Solanum Tuberosum (Plant) Rel Props:Source_db:fooddb_chem_all
  • 29. Outgoing r'ship FOUND_IN to/from Sphaeranthus Indicus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 30. Outgoing r'ship FOUND_IN to/from Sphaeranthus Senegalensis (Plant) Rel Props:Reference:ISBN:9788172361792
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