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Methyl Linolenate

PubChem CID: 5319706

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Compound Synonyms METHYL LINOLENATE, 301-00-8, Methyl alpha-linolenate, Linolenic acid, methyl ester, methyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate, Linolenic acid methyl ester, Methyl all-cis-9,12,15-octadecatrienoate, alpha-Linolenic acid methyl ester, Methyl .alpha.-linolenate, 9,12,15-Octadecatrienoic acid, methyl ester, (Z,Z,Z)-, UNII-0S1NS923K6, DTXSID5041560, 0S1NS923K6, EINECS 206-102-3, Methyl cis,cis,cis-octadec-9,12,15-trienoate, Linolenic acid-methyl ester, NSC 607759, NSC-607759, Methyl linolenate, .alpha., Methyl (9Z,12Z,15Z)-9,12,15-octadecatrienoate, AI3-26935, DTXCID3021560, CHEBI:133634, METHYL LINOLENATE [USP-RS], MFCD00135851, cis,cis,cis-9,12,15-Octadecatrienoic acid, methyl ester, (Z,Z,Z)-9,12,15-OCTADECATRIENOIC ACID METHYL ESTER, methyl (9Z,12Z,15Z)-octadecatrienoate, .ALPHA.-LINOLENIC ACID METHYL ESTER, FEMA NO. 3411, METHYL LINOLENATE-, 9Z,12Z,15Z-Octadecatrienoic acid methyl ester, [Z,Z,Z]-9,12,15-Octadecadienoic acid methyl ester, (Z,Z,Z)-9,12,15-Octadecatrienoic acid, methyl ester, Linolenic acid-methyl ester 10 microg/mL in Acetonitrile, METHYL CIS,CIS,CIS-OCTADECA-9,12,15-TRIENOATE, METHYL LINOLENATE (USP-RS), (9Z,12Z,15Z)-Methyl linolenate, (Z,Z,Z)-9,12,15-Octadecadienoate methyl ester, [Z,Z,Z]-9,12,15-Octadecadienoate methyl ester, (Z,Z,Z)-9,12,15-Octadecadienoic acid methyl ester, Methyl a-linolenate, Methyl cis,cis,cis-9,12,15-octadecatrienoate, Methyl I+--linolenate, Methyl a-linolenic acid, Linolenate, methyl ester, Methyl linolenate, alpha, a-Linolenate methyl ester, Methyl I+--linolenic acid, Methyl alpha-linolenic acid, Methyl linolenate (Standard), SCHEMBL55951, alpha-Linolenate methyl ester, a-Linolenic acid methyl ester, Methyl linolenate, tech grade, CHEMBL1172198, MSK1854, Methyl linolenate, >=99% (GC), Methyl linolenate, (Z,Z,Z)-isomer, Tox21_303764, HY-21268R, NSC607759, Methyl linolenate, analytical standard, AKOS030526132, 1ST1854, CS-5627, FM66586, NCGC00357264-01, AC-33780, AS-56871, CAS-301-00-8, DA-75479, HY-21268, L0051, Methyl (9Z,12Z,15Z)-octadecatrienoic acid, NS00012941, S0324, Methyl linolenate, technical, 70-80% (GC), D91234, Methyl all-cis-9,12,15-octadecatrienoic acid, A912782, 0FE5A6DF-F28B-4F68-A34B-F46CBC4F91AD, Methyl cis,cis,cis-octadec-9,12,15-trienoic acid, cis,cis,cis-9,12,15-Octadecatrienoate, methyl ester, Methyl (9Z,12Z,15Z)-9,12,15-octadecatrienoate #, Q27237155, cis-9,cis-12,cis-15 Octadecadienoic acid methyl ester, Methyl (9Z,12Z,15Z)-9,12,15-octadecatrienoic acid, Octadecatrienoic acid methylester, 9,12,15-(Z,Z,Z)-, cis,cis,cis-octadeca-9,12,15-trienoic acid methyl ester, Methyl linolenate, United States Pharmacopeia (USP) Reference Standard, 805-333-2
Ghose Rule False
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 26.3
Hydrogen Bond Donor Count 0.0
Pfizer 3 75 Rule False
Np Classifier Class Wax monoesters
Deep Smiles CC/C=CC/C=CC/C=CCCCCCCCC=O)OC
Heavy Atom Count 21.0
Classyfire Class Fatty acyls
Classyfire Subclass Lineolic acids and derivatives
Isotope Atom Count 0.0
Molecular Complexity 314.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id n.a.
Iupac Name methyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
Prediction Hob 1.0
Veber Rule False
Classyfire Superclass Lipids and lipid-like molecules
Xlogp 6.2
Gsk 4 400 Rule False
Molecular Formula C19H32O2
Prediction Swissadme 0.0
Inchi Key DVWSXZIHSUZZKJ-YSTUJMKBSA-N
Fcsp3 0.631578947368421
Logs -3.37
Rotatable Bond Count 14.0
Logd 3.934
Synonyms linolenic acid methyl ester, linolenic acid, methyl ester, methyl linolenate, methyl linolenate, methyl-linolenate
Functional Groups C/C=CC, COC(C)=O
Compound Name Methyl Linolenate
Prediction Hob Swissadme 0.0
Exact Mass 292.24
Formal Charge 0.0
Monoisotopic Mass 292.24
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 292.5
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 3.0
Lipinski Rule Of 5 True
Esol -4.6919705999999985
Inchi InChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h4-5,7-8,10-11H,3,6,9,12-18H2,1-2H3/b5-4-,8-7-,11-10-
Smiles CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC
Nring 0.0
Np Classifier Biosynthetic Pathway Fatty acids
Defined Bond Stereocenter Count 3.0
Egan Rule True
Np Classifier Superclass Fatty esters

  • 1. Outgoing r'ship FOUND_IN to/from Achillea Millefolium (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2004.9698716
  • 2. Outgoing r'ship FOUND_IN to/from Achillea Nana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 3. Outgoing r'ship FOUND_IN to/from Aconitum Napellus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 4. Outgoing r'ship FOUND_IN to/from Actinidia Arguta (Plant) Rel Props:Reference:https://doi.org/10.1016/s0031-9422(03)00142-0
  • 5. Outgoing r'ship FOUND_IN to/from Agrimonia Pilosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 6. Outgoing r'ship FOUND_IN to/from Anacardium Occidentale (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2008.9699407
  • 7. Outgoing r'ship FOUND_IN to/from Andrographis Paniculata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 8. Outgoing r'ship FOUND_IN to/from Arabidopsis Thaliana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 9. Outgoing r'ship FOUND_IN to/from Arachis Hypogaea (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.961039
  • 10. Outgoing r'ship FOUND_IN to/from Arctium Lappa (Plant) Rel Props:Reference:https://doi.org/10.22034/ijps.2018.88539.1447
  • 11. Outgoing r'ship FOUND_IN to/from Arnebia Euchroma (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 12. Outgoing r'ship FOUND_IN to/from Arnebia Guttata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 13. Outgoing r'ship FOUND_IN to/from Astragalus Bisulcatus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 14. Outgoing r'ship FOUND_IN to/from Baccharoides Lasiopus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 15. Outgoing r'ship FOUND_IN to/from Ballota Limbata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 16. Outgoing r'ship FOUND_IN to/from Bidens Pilosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 17. Outgoing r'ship FOUND_IN to/from Boenninghausenia Albiflora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 18. Outgoing r'ship FOUND_IN to/from Bothriocline Ripensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 19. Outgoing r'ship FOUND_IN to/from Bougainvillea Spectabilis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2013.794014
  • 20. Outgoing r'ship FOUND_IN to/from Brachyglottis Bidwillii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 21. Outgoing r'ship FOUND_IN to/from Bupleurum Chinense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 22. Outgoing r'ship FOUND_IN to/from Bupleurum Falcatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 23. Outgoing r'ship FOUND_IN to/from Bupleurum Scorzonerifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 24. Outgoing r'ship FOUND_IN to/from Calea Lantanoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 25. Outgoing r'ship FOUND_IN to/from Calendula Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2003.9698610
  • 26. Outgoing r'ship FOUND_IN to/from Campsis Grandiflora (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730040304
  • 27. Outgoing r'ship FOUND_IN to/from Cassia Fistula (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2007.9699305
  • 28. Outgoing r'ship FOUND_IN to/from Catharanthus Roseus (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.998720
  • 29. Outgoing r'ship FOUND_IN to/from Chromolaena Odorata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 30. Outgoing r'ship FOUND_IN to/from Cibotium Barometz (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 31. Outgoing r'ship FOUND_IN to/from Citrus Maxima (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 32. Outgoing r'ship FOUND_IN to/from Citrus Sinensis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1996.9701025
  • 33. Outgoing r'ship FOUND_IN to/from Clausena Kanpurensis (Plant) Rel Props:Reference:ISBN:9770972795006; ISBN:9788185042084
  • 34. Outgoing r'ship FOUND_IN to/from Conyza Filaginoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 35. Outgoing r'ship FOUND_IN to/from Coronilla Cretica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 36. Outgoing r'ship FOUND_IN to/from Crotalaria Juncea (Plant) Rel Props:Reference:ISBN:9788185042114
  • 37. Outgoing r'ship FOUND_IN to/from Crotalaria Retusa (Plant) Rel Props:Reference:ISBN:9788185042114
  • 38. Outgoing r'ship FOUND_IN to/from Daucus Carota (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2008.10643630
  • 39. Outgoing r'ship FOUND_IN to/from Desmostachya Bipinnata (Plant) Rel Props:Source_db:npass_chem_all
  • 40. Outgoing r'ship FOUND_IN to/from Drosera Indica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 41. Outgoing r'ship FOUND_IN to/from Drummondita Hassellii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 42. Outgoing r'ship FOUND_IN to/from Dysosma Pleianthum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 43. Outgoing r'ship FOUND_IN to/from Elaeodendron Alluaudianum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 44. Outgoing r'ship FOUND_IN to/from Ephedra Distachya (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 45. Outgoing r'ship FOUND_IN to/from Eruca Vesicaria (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1883
  • 46. Outgoing r'ship FOUND_IN to/from Flindersia Xanthoxyla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 47. Outgoing r'ship FOUND_IN to/from Galium Aparine (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2004.9698728
  • 48. Outgoing r'ship FOUND_IN to/from Galium Mollugo (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 49. Outgoing r'ship FOUND_IN to/from Gardenia Imperialis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 50. Outgoing r'ship FOUND_IN to/from Glebionis Coronaria (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1285
  • 51. Outgoing r'ship FOUND_IN to/from Gomesa Radicans (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 52. Outgoing r'ship FOUND_IN to/from Gossypium Barbadense (Plant) Rel Props:Source_db:npass_chem_all
  • 53. Outgoing r'ship FOUND_IN to/from Grindelia Scorzonerifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 54. Outgoing r'ship FOUND_IN to/from Gymnema Sylvestre (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2011.9700451
  • 55. Outgoing r'ship FOUND_IN to/from Hedychium Coronarium (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730060310
  • 56. Outgoing r'ship FOUND_IN to/from Hierochloe Odorata (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730060108
  • 57. Outgoing r'ship FOUND_IN to/from Isatis Tinctoria (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2006.9699155
  • 58. Outgoing r'ship FOUND_IN to/from Jasminum Azoricum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1995.9698457
  • 59. Outgoing r'ship FOUND_IN to/from Jasminum Sambac (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1995.9698457
  • 60. Outgoing r'ship FOUND_IN to/from Jatropha Curcas (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.886965
  • 61. Outgoing r'ship FOUND_IN to/from Lactuca Virosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 62. Outgoing r'ship FOUND_IN to/from Lamium Album (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2016.1168321
  • 63. Outgoing r'ship FOUND_IN to/from Leonurus Cardiaca (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2008.9699966
  • 64. Outgoing r'ship FOUND_IN to/from Lepidium Graminifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 65. Outgoing r'ship FOUND_IN to/from Ligusticum Sinense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 66. Outgoing r'ship FOUND_IN to/from Linum Usitatissimum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 67. Outgoing r'ship FOUND_IN to/from Lithospermum Erythrorhizon (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 68. Outgoing r'ship FOUND_IN to/from Lonchocarpus Atropurpureus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 69. Outgoing r'ship FOUND_IN to/from Lonicera Japonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 70. Outgoing r'ship FOUND_IN to/from Magnolia Champaca (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1742
  • 71. Outgoing r'ship FOUND_IN to/from Momordica Charantia (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2009.9700201
  • 72. Outgoing r'ship FOUND_IN to/from Morus Alba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 73. Outgoing r'ship FOUND_IN to/from Murraya Exotica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 74. Outgoing r'ship FOUND_IN to/from Murraya Paniculata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 75. Outgoing r'ship FOUND_IN to/from Nepeta Cataria (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2016.1211965
  • 76. Outgoing r'ship FOUND_IN to/from Onosma Echioides (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2009.9700213
  • 77. Outgoing r'ship FOUND_IN to/from Onychium Japonicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 78. Outgoing r'ship FOUND_IN to/from Pachira Aquatica (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2019.1571950
  • 79. Outgoing r'ship FOUND_IN to/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 80. Outgoing r'ship FOUND_IN to/from Pandanus Odorifer (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1466
  • 81. Outgoing r'ship FOUND_IN to/from Pinus Flexilis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 82. Outgoing r'ship FOUND_IN to/from Prunus Mahaleb (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1596
  • 83. Outgoing r'ship FOUND_IN to/from Psilotum Nudum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 84. Outgoing r'ship FOUND_IN to/from Raphanus Sativus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 85. Outgoing r'ship FOUND_IN to/from Rhaponticum Repens (Plant) Rel Props:Source_db:npass_chem_all
  • 86. Outgoing r'ship FOUND_IN to/from Ricinus Communis (Plant) Rel Props:Reference:ISBN:9788185042053
  • 87. Outgoing r'ship FOUND_IN to/from Salvia Miltiorrhiza (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2009.9700222
  • 88. Outgoing r'ship FOUND_IN to/from Salvia Nemorosa (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.3389
  • 89. Outgoing r'ship FOUND_IN to/from Salvia Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.3389
  • 90. Outgoing r'ship FOUND_IN to/from Salvia Pratensis (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.3389
  • 91. Outgoing r'ship FOUND_IN to/from Salvia Sclarea (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.3389
  • 92. Outgoing r'ship FOUND_IN to/from Senegalia Mellifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 93. Outgoing r'ship FOUND_IN to/from Sesbania Javanica (Plant) Rel Props:Reference:ISBN:9788185042114
  • 94. Outgoing r'ship FOUND_IN to/from Sonchus Arvensis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.989185
  • 95. Outgoing r'ship FOUND_IN to/from Spondias Mombin (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2005.9698933
  • 96. Outgoing r'ship FOUND_IN to/from Syzygium Jambos (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 97. Outgoing r'ship FOUND_IN to/from Trifolium Repens (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2010.9700417
  • 98. Outgoing r'ship FOUND_IN to/from Typha Latifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 99. Outgoing r'ship FOUND_IN to/from Uncaria Sterrophylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 100. Outgoing r'ship FOUND_IN to/from Verbascum Thapsus (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644063
  • 101. Outgoing r'ship FOUND_IN to/from Vicia Amoena (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 102. Outgoing r'ship FOUND_IN to/from Viscum Album (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1996.9701029
  • 103. Outgoing r'ship FOUND_IN to/from Zanthoxylum Armatum (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.3381
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