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(Z,E)-alpha-Farnesene

PubChem CID: 5362889

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Compound Synonyms (Z,E)-alpha-Farnesene, 26560-14-5, (3z,6e)-alpha-farnesene, (Z,E)-.alpha.-Farnesene, alpha-Farnesene, (3Z,6E)-, UNII-4U4U81627K, cis,trans-alpha-Farnesene, 1,3,6,10-Dodecatetraene, 3,7,11-trimethyl-, (Z,E)-, (3Z,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene, 4U4U81627K, FEMA No. 3839, (3Z,6E)-alpha-, 1,3,6,10-Dodecatetraene, 3,7,11-trimethyl-, (3Z,6E)-, .alpha.-(Z,E)-Farnesene, cis,trans-.alpha.-Farnesene, CHEBI:39238, DTXSID70181138, (Z)-3, (E)-6-.alpha.-Farnesene, (3Z,6E)-3,7,11-Trimethyl-1,3,6,10-dodecatetraene, .ALPHA.-FARNESENE, (3Z,6E)-, FEMA NO. 3839, (3Z,6E)-.ALPHA.-, (Z,E)-3,7,11-Trimethyl-1,3,6,10-dodecatetraene,, alpha farnesene, Alph, -trans-Farnesene, -e,e-Farnesene, (z,e)-a-farnesene, (Z,E)--Farnesene, (Z,E)-?-Farnesene, alpha-(Z,E)-Farnesene, cis,trans-I+--Farnesene, (Z,E)-I+--Farnesene, alpha-trans,trans-Farnesene, (3Z,6E)-I+--Farnesene, (3Z,6E)- .alpha.-Farnesene, DTXCID80103629, (Z)-3, (E)-6-alpha-Farnesene, NS00095989, 3,7,11-Trimethyl-(E,E)-1,3,6,10-Dodecatetraene, Q27119780
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 0.0
Hydrogen Bond Donor Count 0.0
Pfizer 3 75 Rule False
Np Classifier Class Farnesane sesquiterpenoids
Deep Smiles C=C/C=CC/C=C/CCC=CC)C)))))C)))))/C
Heavy Atom Count 15.0
Classyfire Class Prenol lipids
Description (z,e)-alpha-farnesene is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units (z,e)-alpha-farnesene can be found in ceylon cinnamon, which makes (z,e)-alpha-farnesene a potential biomarker for the consumption of this food product.
Classyfire Subclass Sesquiterpenoids
Isotope Atom Count 0.0
Molecular Complexity 270.0
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name (3Z,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene
Prediction Hob 1.0
Class Prenol lipids
Veber Rule True
Classyfire Superclass Lipids and lipid-like molecules
Xlogp 6.1
Superclass Lipids and lipid-like molecules
Subclass Sesquiterpenoids
Gsk 4 400 Rule False
Molecular Formula C15H24
Prediction Swissadme 0.0
Inchi Key CXENHBSYCFFKJS-OXYODPPFSA-N
Silicos It Class Soluble
Fcsp3 0.4666666666666667
Logs -5.723
Rotatable Bond Count 6.0
State Solid
Logd 4.984
Synonyms (3Z,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene, 1,3,6,10-Dodecatetraene, 3,7,11-trimethyl-, (Z,E)-, (3Z,6E)-a-Farnesene, (3Z,6E)-Α-farnesene, (Z,E)-a-Farnesene, (Z,E)-α-Farnesene, (3Z,6E)-3,7,11-Trimethyl-1,3,6,10-dodecatetraene, (3Z,6E)-alpha-Farnesene, (Z,E)-alpha-Farnesene, 3,7,11-Trimethyl-1,3,6,10-dodecatetraene, Farnesene, Zataroside A, alpha-Farnesene, cis,trans-alpha-Farnesene, cis,trans-α-Farnesene, (z, e)-α-farnesene, (z,e) α-farnesene, (z,e)- α -farnesene, (z,e)- α-farnesene, (z,e)-a-farnesene, (z,e)-alpha-farnesene, (z,e)-α -farnesene, (z,e)-α- farnesene, (z,e)-α-farnese, (z,e)α-farnesene, farnesene,cis-α-
Esol Class Moderately soluble
Functional Groups C/C=C(/C)C, C=C/C(C)=CC, CC=C(C)C
Compound Name (Z,E)-alpha-Farnesene
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 204.188
Formal Charge 0.0
Monoisotopic Mass 204.188
Hydrogen Bond Acceptor Count 0.0
Molecular Weight 204.35
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 2.0
Molecular Framework Aliphatic acyclic compounds
Lipinski Rule Of 5 True
Esol -4.5666134
Inchi InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9-10,12H,1,7-8,11H2,2-5H3/b14-10-,15-12+
Smiles CC(=CCC/C(=C/C/C=C(/C)\C=C)/C)C
Nring 0.0
Np Classifier Biosynthetic Pathway Terpenoids
Defined Bond Stereocenter Count 2.0
Egan Rule True
Taxonomy Direct Parent Sesquiterpenoids
Np Classifier Superclass Sesquiterpenoids

  • 1. Outgoing r'ship FOUND_IN to/from Abies Alba (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1796
  • 2. Outgoing r'ship FOUND_IN to/from Agastache Rugosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 3. Outgoing r'ship FOUND_IN to/from Ageratum Conyzoides (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730080504
  • 4. Outgoing r'ship FOUND_IN to/from Angelica Sinensis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1996.9700676
  • 5. Outgoing r'ship FOUND_IN to/from Artemisia Argyi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 6. Outgoing r'ship FOUND_IN to/from Artemisia Capillaris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 7. Outgoing r'ship FOUND_IN to/from Artemisia Montana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 8. Outgoing r'ship FOUND_IN to/from Artemisia Princeps (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 9. Outgoing r'ship FOUND_IN to/from Carlina Acaulis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1996.9700696
  • 10. Outgoing r'ship FOUND_IN to/from Cinnamomum Verum (Plant) Rel Props:Source_db:fooddb_chem_all
  • 11. Outgoing r'ship FOUND_IN to/from Citrus Aurantium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 12. Outgoing r'ship FOUND_IN to/from Citrus Natsudaidai (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 13. Outgoing r'ship FOUND_IN to/from Citrus Paradisi (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1119
  • 14. Outgoing r'ship FOUND_IN to/from Citrus Reticulata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 15. Outgoing r'ship FOUND_IN to/from Citrus Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 16. Outgoing r'ship FOUND_IN to/from Citrus Trifoliata (Plant) Rel Props:Source_db:cmaup_ingredients
  • 17. Outgoing r'ship FOUND_IN to/from Citrus Unshiu (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 18. Outgoing r'ship FOUND_IN to/from Curcuma Caesia (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1255
  • 19. Outgoing r'ship FOUND_IN to/from Dimocarpus Longan (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199607)11:4<223::aid-ffj579>3.0.co;2-b
  • 20. Outgoing r'ship FOUND_IN to/from Elsholtzia Blanda (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279
  • 21. Outgoing r'ship FOUND_IN to/from Hypericum Perforatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 22. Outgoing r'ship FOUND_IN to/from Illicium Verum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 23. Outgoing r'ship FOUND_IN to/from Isodon Melissoides (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2016.1231597
  • 24. Outgoing r'ship FOUND_IN to/from Lobelia Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 25. Outgoing r'ship FOUND_IN to/from Oenanthe Javanica (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/16104797
  • 26. Outgoing r'ship FOUND_IN to/from Persicaria Hydropiper (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1779
  • 27. Outgoing r'ship FOUND_IN to/from Schisandra Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 28. Outgoing r'ship FOUND_IN to/from Vitis Vinifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 29. Outgoing r'ship FOUND_IN to/from Zanthoxylum Bungeanum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 30. Outgoing r'ship FOUND_IN to/from Zanthoxylum Piperitum (Plant) Rel Props:Source_db:npass_chem_all
  • 31. Outgoing r'ship FOUND_IN to/from Zanthoxylum Schinifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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