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Heneicosane

PubChem CID: 12403

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Compound Synonyms HENEICOSANE, n-Heneicosane, Henicosane, 629-94-7, UNII-I93S5U5DMP, I93S5U5DMP, EINECS 211-118-9, MFCD00009346, AI3-36479, DTXSID9047097, CHEBI:32931, HSDB 8351, CH3-[CH2]19-CH3, Eicosane, methyl-, CH3-(CH2)19-CH3, Heneicosane, n-Heneicosane, Henicosane, , henicosan, Henicosane #, Heneicosane, 98%, Heneicosane (Standard), Heneicosane, analytical standard, DTXCID7027097, HY-W089845R, LMFA11000572, AKOS015902468, HY-W089845, AS-56310, DB-054362, CS-0132444, H0367, NS00012510, D90848, Q150955, FD8EC3D3-E6A2-47B6-9E26-13A115192857, 211-118-9
Ghose Rule False
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 0.0
Hydrogen Bond Donor Count 0.0
Pfizer 3 75 Rule False
Np Classifier Class Hydrocarbons
Deep Smiles CCCCCCCCCCCCCCCCCCCCC
Heavy Atom Count 21.0
Classyfire Class Saturated hydrocarbons
Description Heneicosane, also known as ch3-[ch2]19-ch3, is a member of the class of compounds known as alkanes. Alkanes are acyclic branched or unbranched hydrocarbons having the general formula CnH2n+2 , and therefore consisting entirely of hydrogen atoms and saturated carbon atoms. Thus, heneicosane is considered to be a hydrocarbon lipid molecule. Heneicosane is an alkane and waxy tasting compound and can be found in a number of food items such as orange bell pepper, yellow bell pepper, lemon balm, and pepper (c. annuum), which makes heneicosane a potential biomarker for the consumption of these food products. Heneicosane can be found primarily in saliva. The term higher alkanes is sometimes used literally as "alkanes with a higher number of carbon atoms". One definition distinguishes the higher alkanes as the n-alkanes that are solid under natural conditions .
Classyfire Subclass Alkanes
Isotope Atom Count 0.0
Molecular Complexity 143.0
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name henicosane
Prediction Hob 1.0
Class Saturated hydrocarbons
Veber Rule False
Classyfire Superclass Hydrocarbons
Xlogp 11.0
Superclass Hydrocarbons
Subclass Alkanes
Gsk 4 400 Rule False
Molecular Formula C21H44
Prediction Swissadme 0.0
Inchi Key FNAZRRHPUDJQCJ-UHFFFAOYSA-N
Silicos It Class Poorly soluble
Fcsp3 1.0
Logs -7.476
Rotatable Bond Count 18.0
Logd 4.868
Synonyms Heneicosane, Henicosane, N-henicosane, CH3-[CH2]19-CH3, N-Heneicosane, heineicosane, heneicosane, heneicosane, n, henicosane, n- heneicosane, n-heicosane, n-heneicosane, n-heneicosane (c-21), n-heneicosane*, n-henicosane
Esol Class Poorly soluble
Compound Name Heneicosane
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 296.344
Formal Charge 0.0
Monoisotopic Mass 296.344
Hydrogen Bond Acceptor Count 0.0
Molecular Weight 296.6
Gi Absorption False
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 -7.414514599999999
Inchi InChI=1S/C21H44/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3-21H2,1-2H3
Smiles CCCCCCCCCCCCCCCCCCCCC
Nring 0.0
Np Classifier Biosynthetic Pathway Fatty acids
Defined Bond Stereocenter Count 0.0
Egan Rule False
Taxonomy Direct Parent Alkanes
Np Classifier Superclass Fatty acyls

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  • 27. Outgoing r'ship FOUND_IN to/from Bistorta Manshuriensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 28. Outgoing r'ship FOUND_IN to/from Bistorta Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 29. Outgoing r'ship FOUND_IN to/from Brassica Oleracea (Plant) Rel Props:Source_db:fooddb_chem_all
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  • 34. Outgoing r'ship FOUND_IN to/from Capsicum Frutescens (Plant) Rel Props:Source_db:fooddb_chem_all
  • 35. Outgoing r'ship FOUND_IN to/from Carica Papaya (Plant) Rel Props:Source_db:fooddb_chem_all
  • 36. Outgoing r'ship FOUND_IN to/from Carissa Spinarum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2009.9700198
  • 37. Outgoing r'ship FOUND_IN to/from Carthamus Tinctorius (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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  • 43. Outgoing r'ship FOUND_IN to/from Cestrum Nocturnum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2010.10643871
  • 44. Outgoing r'ship FOUND_IN to/from Chrysanthemum Indicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 45. Outgoing r'ship FOUND_IN to/from Chrysanthemum Morifolium (Plant) Rel Props:Source_db:npass_chem_all
  • 46. Outgoing r'ship FOUND_IN to/from Chukrasia Tabularis (Plant) Rel Props:Reference:ISBN:9788185042145
  • 47. Outgoing r'ship FOUND_IN to/from Cistanche Deserticola (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 48. Outgoing r'ship FOUND_IN to/from Citrullus Lanatus (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all
  • 49. Outgoing r'ship FOUND_IN to/from Citrus Aurantium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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  • 55. Outgoing r'ship FOUND_IN to/from Cnidium Monnieri (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 56. Outgoing r'ship FOUND_IN to/from Cocos Nucifera (Plant) Rel Props:Source_db:fooddb_chem_all
  • 57. Outgoing r'ship FOUND_IN to/from Codonopsis Pilosula (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 58. Outgoing r'ship FOUND_IN to/from Conium Maculatum (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1722
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  • 91. Outgoing r'ship FOUND_IN to/from Hypericum Perforatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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  • 98. Outgoing r'ship FOUND_IN to/from Jatropha Curcas (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.886965
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  • 100. Outgoing r'ship FOUND_IN to/from Lamium Album (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2016.1168321
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  • 118. Outgoing r'ship FOUND_IN to/from Naregamia Alata (Plant) Rel Props:Reference:ISBN:9770972795006; ISBN:9780387706375; ISBN:9789327275590
  • 119. Outgoing r'ship FOUND_IN to/from Nelumbo Nucifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 120. Outgoing r'ship FOUND_IN to/from Nepeta Hindostana (Plant) Rel Props:Reference:ISBN:9788185042138
  • 121. Outgoing r'ship FOUND_IN to/from Nicotiana Rustica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1995.9698517
  • 122. Outgoing r'ship FOUND_IN to/from Nicotiana Tabacum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2002.9699832
  • 123. Outgoing r'ship FOUND_IN to/from Oenanthe Javanica (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279
  • 124. Outgoing r'ship FOUND_IN to/from Origanum Vulgare (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all
  • 125. Outgoing r'ship FOUND_IN to/from Osmanthus Fragrans (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2015.1114532
  • 126. Outgoing r'ship FOUND_IN to/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 127. Outgoing r'ship FOUND_IN to/from Panax Notoginseng (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 128. Outgoing r'ship FOUND_IN to/from Panax Pseudo (Plant) Rel Props:Source_db:npass_chem_all
  • 129. Outgoing r'ship FOUND_IN to/from Panax Pseudo-Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 130. Outgoing r'ship FOUND_IN to/from Panax Quinquefolius (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2006.10643501
  • 131. Outgoing r'ship FOUND_IN to/from Pelargonium Graveolens (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2018.1442753
  • 132. Outgoing r'ship FOUND_IN to/from Petiveria Alliacea (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2013.820673
  • 133. Outgoing r'ship FOUND_IN to/from Peucedanum Officinale (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2006.9699200
  • 134. Outgoing r'ship FOUND_IN to/from Phyllanthus Amarus (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2009.9700201
  • 135. Outgoing r'ship FOUND_IN to/from Piper Longum (Plant) Rel Props:Reference:ISBN:9788171360536
  • 136. Outgoing r'ship FOUND_IN to/from Piper Nigrum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 137. Outgoing r'ship FOUND_IN to/from Plumeria Rubra (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1617
  • 138. Outgoing r'ship FOUND_IN to/from Polianthes Tuberosa (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2016.1259590
  • 139. Outgoing r'ship FOUND_IN to/from Polygonatum Odoratum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 140. Outgoing r'ship FOUND_IN to/from Premna Serratifolia (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1998.9700905
  • 141. Outgoing r'ship FOUND_IN to/from Prosopis Farcta (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1652
  • 142. Outgoing r'ship FOUND_IN to/from Prunus Mahaleb (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1596
  • 143. Outgoing r'ship FOUND_IN to/from Prunus Persica (Plant) Rel Props:Reference:ISBN:9788185042145
  • 144. Outgoing r'ship FOUND_IN to/from Psidium Guajava (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2009.9700131
  • 145. Outgoing r'ship FOUND_IN to/from Pterocarpus Indicus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 146. Outgoing r'ship FOUND_IN to/from Pyrus Communis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2018.1553637
  • 147. Outgoing r'ship FOUND_IN to/from Rhaponticum Uniflorum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 148. 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
  • 149. Outgoing r'ship FOUND_IN to/from Rhizophora Apiculata (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.909748
  • 150. Outgoing r'ship FOUND_IN to/from Rhizophora Mucronata (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.909748
  • 151. Outgoing r'ship FOUND_IN to/from Rhus Coriaria (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730080408
  • 152. Outgoing r'ship FOUND_IN to/from Rosa Alba (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730070405
  • 153. Outgoing r'ship FOUND_IN to/from Rosa Canina (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2012.703509
  • 154. Outgoing r'ship FOUND_IN to/from Rosa Centifolia (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730070405
  • 155. Outgoing r'ship FOUND_IN to/from Rosa Damascena (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2015.1099120
  • 156. Outgoing r'ship FOUND_IN to/from Rosa Gallica (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2010.10643794
  • 157. Outgoing r'ship FOUND_IN to/from Rosa Multiflora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 158. Outgoing r'ship FOUND_IN to/from Salvia Miltiorrhiza (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2009.9700222
  • 159. Outgoing r'ship FOUND_IN to/from Salvia Virgata (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2009.9700214
  • 160. Outgoing r'ship FOUND_IN to/from Sambucus Nigra (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all
  • 161. Outgoing r'ship FOUND_IN to/from Saussurea Costus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 162. Outgoing r'ship FOUND_IN to/from Senna Alata (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2011.10643995
  • 163. Outgoing r'ship FOUND_IN to/from Senna Alexandrina (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 164. Outgoing r'ship FOUND_IN to/from Senna Hirsuta (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2011.10643995
  • 165. Outgoing r'ship FOUND_IN to/from Senna Occidentalis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2011.10643995
  • 166. Outgoing r'ship FOUND_IN to/from Seseli Libanotis (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1722
  • 167. Outgoing r'ship FOUND_IN to/from Sonchus Arvensis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.989185
  • 168. Outgoing r'ship FOUND_IN to/from Stachys Byzantina (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2010.10643837
  • 169. Outgoing r'ship FOUND_IN to/from Stachys Lavandulifolia (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1594
  • 170. Outgoing r'ship FOUND_IN to/from Stachys Sylvatica (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1275
  • 171. Outgoing r'ship FOUND_IN to/from Tagetes Erecta (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2002.9699913
  • 172. Outgoing r'ship FOUND_IN to/from Tagetes Lucida (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2011.9700485
  • 173. Outgoing r'ship FOUND_IN to/from Taxodium Distichum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1999.9701161
  • 174. Outgoing r'ship FOUND_IN to/from Taxus Baccata (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2010.9700371
  • 175. Outgoing r'ship FOUND_IN to/from Tilia Cordata (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2007.9699255
  • 176. Outgoing r'ship FOUND_IN to/from Uncaria Macrophylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 177. Outgoing r'ship FOUND_IN to/from Verbascum Thapsus (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644063
  • 178. Outgoing r'ship FOUND_IN to/from Vincetoxicum Glaucescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 179. Outgoing r'ship FOUND_IN to/from Vincetoxicum Stauntonii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 180. Outgoing r'ship FOUND_IN to/from Viscum Album (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1996.9701029
  • 181. Outgoing r'ship FOUND_IN to/from Wisteria Sinensis (Plant) Rel Props:Reference:ISBN:9788172363093; ISBN:9788185042145
  • 182. Outgoing r'ship FOUND_IN to/from Zanthoxylum Armatum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972-060x.2003.10643348
  • 183. Outgoing r'ship FOUND_IN to/from Zanthoxylum Rhetsa (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2000.9699492
  • 184. Outgoing r'ship FOUND_IN to/from Zinnia Elegans (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2000.9699552
  • 185. Outgoing r'ship FOUND_IN to/from Ziziphora Clinopodioides (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2005.10643447
  • 186. Outgoing r'ship FOUND_IN to/from Ziziphus Jujuba (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2010.10643807
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