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Tridecanal

PubChem CID: 25311

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Compound Synonyms TRIDECANAL, 10486-19-8, Tridecyl aldehyde, 1-Tridecanal, Tridecanaldehyde, n-Tridecylaldehyde, n-tridecanal, Tridecane aldehyde, CHEBI:89816, UNII-193923TA82, EINECS 234-004-0, TRIDECANAL [FHFI], 193923TA82, DTXSID4021682, FEMA NO. 4335, tridecanealdehyde, MFCD00007018, aldehyde 13-13, Tridecanal, >=95%, SCHEMBL38928, DTXCID501682, CHEMBL2228568, Tridecanal, >=95%, stabilized, Tridecanal, technical grade, 90%, LMFA06000074, AKOS009156983, CS-W004302, AS-56255, DB-040567, NS00013249, T0410, H10845, Q18456293, 234-004-0
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 17.1
Hydrogen Bond Donor Count 0.0
Pfizer 3 75 Rule False
Np Classifier Class Fatty aldehydes
Deep Smiles CCCCCCCCCCCCC=O
Heavy Atom Count 14.0
Classyfire Class Fatty acyls
Description Volatile flavour component of coriander leafand is also in lemon and cucumber oils. Tridecanal is found in many foods, some of which are herbs and spices, lemon, corn, and citrus.
Classyfire Subclass Fatty aldehydes
Isotope Atom Count 0.0
Molecular Complexity 110.0
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name tridecanal
Prediction Hob 1.0
Class Fatty Acyls
Veber Rule False
Classyfire Superclass Lipids and lipid-like molecules
Xlogp 5.4
Superclass Lipids and lipid-like molecules
Subclass Fatty aldehydes
Gsk 4 400 Rule False
Molecular Formula C13H26O
Prediction Swissadme 0.0
Inchi Key BGEHHAVMRVXCGR-UHFFFAOYSA-N
Silicos It Class Moderately soluble
Fcsp3 0.9230769230769232
Rotatable Bond Count 11.0
State Liquid
Synonyms 1-Tridecanal, N-Tridecanal, N-Tridecylaldehyde, Tridecanaldehyde, Tridecane aldehyde, Tridecyl aldehyde, tridecanal
Esol Class Soluble
Functional Groups CC=O
Compound Name Tridecanal
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 198.198
Formal Charge 0.0
Monoisotopic Mass 198.198
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 198.34
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aliphatic acyclic compounds
Lipinski Rule Of 5 True
Esol -3.7646699999999997
Inchi InChI=1S/C13H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h13H,2-12H2,1H3
Smiles CCCCCCCCCCCCC=O
Np Classifier Biosynthetic Pathway Fatty acids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Taxonomy Direct Parent Fatty aldehydes
Np Classifier Superclass Fatty acyls

  • 1. Outgoing r'ship FOUND_IN to/from Amomum Villosum (Plant) Rel Props:Source_db:npass_chem_all
  • 2. Outgoing r'ship FOUND_IN to/from Anethum Graveolens (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2000.9712206
  • 3. Outgoing r'ship FOUND_IN to/from Aquilaria Agallocha (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2005.9699008
  • 4. Outgoing r'ship FOUND_IN to/from Capparis Spinosa (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2015.1113205
  • 5. Outgoing r'ship FOUND_IN to/from Carum Carvi (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2000.9712206
  • 6. Outgoing r'ship FOUND_IN to/from Centaurea Iberica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2012.755476
  • 7. Outgoing r'ship FOUND_IN to/from Ceratophyllum Demersum (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1588
  • 8. Outgoing r'ship FOUND_IN to/from Chamaemelum Nobile (Plant) Rel Props:Reference:ISBN:9788172362089; ISBN:9788185042145
  • 9. Outgoing r'ship FOUND_IN to/from Citrullus Lanatus (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2014.933449
  • 10. Outgoing r'ship FOUND_IN to/from Citrus Aurantium (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730040313
  • 11. Outgoing r'ship FOUND_IN to/from Citrus Limon (Plant) Rel Props:Source_db:fooddb_chem_all
  • 12. Outgoing r'ship FOUND_IN to/from Citrus Maxima (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2011.9700445
  • 13. Outgoing r'ship FOUND_IN to/from Citrus Reticulata (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2006.9699197
  • 14. Outgoing r'ship FOUND_IN to/from Citrus Sinensis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1994.9698342
  • 15. Outgoing r'ship FOUND_IN to/from Coriandrum Sativum (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all
  • 16. Outgoing r'ship FOUND_IN to/from Dracocephalum Moldavica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2000.9712206
  • 17. Outgoing r'ship FOUND_IN to/from Eryngium Foetidum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.960277
  • 18. Outgoing r'ship FOUND_IN to/from Euphorbia Helioscopia (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1148
  • 19. Outgoing r'ship FOUND_IN to/from Foeniculum Vulgare (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2000.9712206
  • 20. Outgoing r'ship FOUND_IN to/from Gliricidia Sepium (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2015.1008231
  • 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 Lantana Camara (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1292
  • 23. Outgoing r'ship FOUND_IN to/from Laurus Nobilis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2000.9712206
  • 24. Outgoing r'ship FOUND_IN to/from Litsea Monopetala (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1997.9700802
  • 25. Outgoing r'ship FOUND_IN to/from Mentha Piperita (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2000.9712206
  • 26. Outgoing r'ship FOUND_IN to/from Ocimum Basilicum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2000.9712206
  • 27. Outgoing r'ship FOUND_IN to/from Pelargonium Graveolens (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2006.12067128
  • 28. Outgoing r'ship FOUND_IN to/from Petroselinum Crispum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2000.9712206
  • 29. Outgoing r'ship FOUND_IN to/from Prunus Mahaleb (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1596
  • 30. Outgoing r'ship FOUND_IN to/from Prunus Persica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 31. Outgoing r'ship FOUND_IN to/from Rhaponticum Uniflorum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 32. Outgoing r'ship FOUND_IN to/from Rheum Palmatum (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199601)11:1<57::aid-ffj549>3.0.co;2-k
  • 33. Outgoing r'ship FOUND_IN to/from Rosa Davurica (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730050212
  • 34. Outgoing r'ship FOUND_IN to/from Rosa Gallica (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2010.10643794
  • 35. Outgoing r'ship FOUND_IN to/from Rubia Tinctorum (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1667
  • 36. Outgoing r'ship FOUND_IN to/from Satureja Hortensis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2000.9712206
  • 37. Outgoing r'ship FOUND_IN to/from Senna Alata (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2011.10643995
  • 38. Outgoing r'ship FOUND_IN to/from Senna Hirsuta (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2011.10643995
  • 39. Outgoing r'ship FOUND_IN to/from Senna Occidentalis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2011.10643995
  • 40. Outgoing r'ship FOUND_IN to/from Styrax Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1731
  • 41. Outgoing r'ship FOUND_IN to/from Thymus Vulgaris (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2000.9712206
  • 42. Outgoing r'ship FOUND_IN to/from Tilia Cordata (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730010204
  • 43. Outgoing r'ship FOUND_IN to/from Vallisneria Spiralis (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1588
  • 44. Outgoing r'ship FOUND_IN to/from Xanthium Orientale (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.3084
  • 45. Outgoing r'ship FOUND_IN to/from Zanthoxylum Armatum (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.3381
  • 46. Outgoing r'ship FOUND_IN to/from Zea Mays (Plant) Rel Props:Source_db:fooddb_chem_all
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