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Hexahydrofarnesylacetone

PubChem CID: 10408

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Compound Synonyms 502-69-2, 6,10,14-Trimethylpentadecan-2-one, Fitone, PHYTONE, Hexahydrofarnesyl acetone, Perhydrofarnesyl acetone, 2-Pentadecanone, 6,10,14-trimethyl-, Hexahydrofarnesylacetone, 6,10,14-TRIMETHYL-2-PENTADECANONE, EINECS 207-950-7, MFCD00065420, DTXSID40862063, Phytol ketone, (R,R)-Phytone, (+/-)-Phytone, 6,10,14-Trimethylpentadecan-2-one, Hexahydrofarnesyl acetone, Hexahydrofarnesylaceton, (+/-)-Phytone, SCHEMBL716506, 2Oxy6,10,14trimethylpentadecan, 6,10,14Trimethyl2pentadecanone, 6,10,14Trimethylpentadecan2one, DTXCID60810884, CHEBI:145744, HY-N3074, 2Pentadecanone, 6,10,14trimethyl, 6,10,14-trimethyl-2-pentadecanon, AC6244, STK761211, 6,10,14-trimethyl pentadecan-2-one, 6,10,14-trimethyl-pentadecan-2-one, AKOS001727037, AKOS016347358, 6,10,14-trimethyl-pentadecane-2-one, AS-78022, SY249550, DB-051748, CS-0023161, NS00043093, SR-01000526355, SR-01000526355-1, Q67880075, ()-Phytone, 6,10,14-Trimethylpentadecan-2-one, Hexahydrofarnesyl acetone, 207-950-7
Ghose Rule False
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 17.1
Hydrogen Bond Donor Count 0.0
Pfizer 3 75 Rule False
Np Classifier Class Phytane diterpenoids
Deep Smiles CCCCCCC)C)))))CCCCCCCC=O)C)))))C
Heavy Atom Count 19.0
Classyfire Class Prenol lipids
Description 6,10,14-trimethylpentadecan-2-one, also known as hexahydrofarnesylacetone, is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. 6,10,14-trimethylpentadecan-2-one is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 6,10,14-trimethylpentadecan-2-one is a celery, fat, and herbal tasting compound and can be found in a number of food items such as sweet basil, common oregano, roselle, and wild celery, which makes 6,10,14-trimethylpentadecan-2-one a potential biomarker for the consumption of these food products.
Classyfire Subclass Sesquiterpenoids
Isotope Atom Count 0.0
Molecular Complexity 220.0
Database Name cmaup_ingredients;fooddb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 6,10,14-trimethylpentadecan-2-one
Prediction Hob 1.0
Veber Rule False
Classyfire Superclass Lipids and lipid-like molecules
Xlogp 6.9
Gsk 4 400 Rule False
Molecular Formula C18H36O
Prediction Swissadme 0.0
Inchi Key WHWDWIHXSPCOKZ-UHFFFAOYSA-N
Silicos It Class Moderately soluble
Fcsp3 0.9444444444444444
Logs -6.454
Rotatable Bond Count 12.0
Logd 5.61
Synonyms 2-Pentadecanone, 6,10,14-trimethyl-, 6,10,14-Trimethyl-2-pentadecanone, 6,10,14-Trimethylpentadecan-2-one, 6,10,14-trimethylpentadecanone, Hexahydrofarnesyl acetone, Hexahydrofarnesylacetone, Perhydrofarnesyl acetone, Phytone, 2-pentadecanon,6,10,14 trimethyl, 2-pentadecanone-6,10,14-trimethyl, 6,10,14,trimethyl-2-pentadecanone, 6,10,14- trimethyl-2-pentadecanone, 6,10,14-trimethyc2-pentadecanone, 6,10,14-trimethyl-2-pentadecanone, 6,10,14-trimethyl-pentadecan-2-one, 6,10,14-trimethyl-pentadecane-2-on, 6,10,14-trimethylpentadecan-2-on, 6,10,14-trimethylpentadecan-2-one (hexahydrofarnesylacetone), 6,10,14-trimetyl-2- pentadecanone, hexa hydro farnesyl acetone, hexahydro farnesyl acetone, hexahydrofarnesyl aceton, hexahydrofarnesyl acetone, hexahydrofarnesyl acetone (6), hexahydrofarnesylacetone, hexahydroxyfarnesyl acetone, pentadecan-2-one, 6,10,14-trimethyl, pentadecanone 6,10,14-trimethyl, phytone, phytone(6,10,14-trimethylpentadecan-2-one)
Esol Class Moderately soluble
Functional Groups CC(C)=O
Compound Name Hexahydrofarnesylacetone
Prediction Hob Swissadme 0.0
Exact Mass 268.277
Formal Charge 0.0
Monoisotopic Mass 268.277
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 268.5
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 2.0
Total Bond Stereocenter Count 0.0
Lipinski Rule Of 5 True
Esol -5.091106999999999
Inchi InChI=1S/C18H36O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h15-17H,6-14H2,1-5H3
Smiles CC(C)CCCC(C)CCCC(C)CCCC(=O)C
Nring 0.0
Np Classifier Biosynthetic Pathway Terpenoids
Defined Bond Stereocenter Count 0.0
Egan Rule False
Np Classifier Superclass Diterpenoids

  • 1. Outgoing r'ship FOUND_IN to/from Acalypha Hispida (Plant) Rel Props:Reference:https://doi.org/10.1177/1934578x0900400225
  • 2. Outgoing r'ship FOUND_IN to/from Acalypha Wilkesiana (Plant) Rel Props:Reference:https://doi.org/10.1177/1934578x0900400225
  • 3. Outgoing r'ship FOUND_IN to/from Achillea Millefolium (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279
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  • 9. Outgoing r'ship FOUND_IN to/from Actaea Simplex (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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  • 19. Outgoing r'ship FOUND_IN to/from Alhagi Maurorum (Plant) Rel Props:Reference:https://doi.org/10.1007/s10600-012-0417-8
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  • 26. Outgoing r'ship FOUND_IN to/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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  • 90. Outgoing r'ship FOUND_IN to/from Gomphrena Globosa (Plant) Rel Props:Source_db:npass_chem_all
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  • 96. Outgoing r'ship FOUND_IN to/from Hypericum Perforatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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  • 122. Outgoing r'ship FOUND_IN to/from Nepeta Cataria (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2016.1211965
  • 123. Outgoing r'ship FOUND_IN to/from Nerium Oleander (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 124. Outgoing r'ship FOUND_IN to/from Nicotiana Tabacum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2002.9699832
  • 125. Outgoing r'ship FOUND_IN to/from Ocimum Basilicum (Plant) Rel Props:Source_db:fooddb_chem_all
  • 126. Outgoing r'ship FOUND_IN to/from Oldenlandia Diffusa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 127. Outgoing r'ship FOUND_IN to/from Onosma Echioides (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2009.9700213
  • 128. Outgoing r'ship FOUND_IN to/from Origanum Majorana (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2016.1264276
  • 129. Outgoing r'ship FOUND_IN to/from Origanum Vulgare (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all
  • 130. Outgoing r'ship FOUND_IN to/from Osmanthus Fragrans (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2015.1114532
  • 131. Outgoing r'ship FOUND_IN to/from Oxytropis Kansuensis (Plant) Rel Props:Reference:ISBN:9788185042145
  • 132. Outgoing r'ship FOUND_IN to/from Pachira Aquatica (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2019.1571950
  • 133. Outgoing r'ship FOUND_IN to/from Paederia Scandens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 134. Outgoing r'ship FOUND_IN to/from Parthenium Hysterophorus (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1998.9700867
  • 135. Outgoing r'ship FOUND_IN to/from Passiflora Foetida (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2009.10643715
  • 136. Outgoing r'ship FOUND_IN to/from Patrinia Scabiosifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 137. Outgoing r'ship FOUND_IN to/from Patrinia Villosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 138. Outgoing r'ship FOUND_IN to/from Pelargonium Graveolens (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2006.12067128
  • 139. Outgoing r'ship FOUND_IN to/from Pelargonium Reniforme (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199805/06)13:3<209::aid-ffj731>3.0.co;2-u
  • 140. Outgoing r'ship FOUND_IN to/from Perilla Frutescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 141. Outgoing r'ship FOUND_IN to/from Petroselinum Crispum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1321504
  • 142. Outgoing r'ship FOUND_IN to/from Phyllanthus Amarus (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2009.9700201
  • 143. Outgoing r'ship FOUND_IN to/from Pistacia Lentiscus (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1878
  • 144. Outgoing r'ship FOUND_IN to/from Pistacia Vera (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644094
  • 145. Outgoing r'ship FOUND_IN to/from Pogostemon Cablin (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2010.9700346
  • 146. Outgoing r'ship FOUND_IN to/from Polyalthia Longifolia (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.3215
  • 147. Outgoing r'ship FOUND_IN to/from Prunus Mahaleb (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1596
  • 148. Outgoing r'ship FOUND_IN to/from Prunus Persica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 149. Outgoing r'ship FOUND_IN to/from Pterocarpus Indicus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 150. Outgoing r'ship FOUND_IN to/from Pyrola Japonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 151. Outgoing r'ship FOUND_IN to/from Rhaponticum Repens (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1568
  • 152. Outgoing r'ship FOUND_IN to/from Rhus Coriaria (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1993.9698267
  • 153. Outgoing r'ship FOUND_IN to/from Ribes Nigrum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2008.9700074
  • 154. Outgoing r'ship FOUND_IN to/from Ribes Rubrum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2018.1547226
  • 155. Outgoing r'ship FOUND_IN to/from Rosa Multiflora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 156. Outgoing r'ship FOUND_IN to/from Rungia Pectinata (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2016.1197800
  • 157. Outgoing r'ship FOUND_IN to/from Ruta Chalepensis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1996.9700650
  • 158. Outgoing r'ship FOUND_IN to/from Salvia Leucantha (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2018.1506711
  • 159. Outgoing r'ship FOUND_IN to/from Salvia Miltiorrhiza (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2009.9700222
  • 160. Outgoing r'ship FOUND_IN to/from Salvia Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.935041
  • 161. Outgoing r'ship FOUND_IN to/from Salvia Verbenaca (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1647
  • 162. Outgoing r'ship FOUND_IN to/from Salvia Virgata (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2009.9700214
  • 163. Outgoing r'ship FOUND_IN to/from Saussurea Involucrata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 164. Outgoing r'ship FOUND_IN to/from Scutellaria Barbata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 165. Outgoing r'ship FOUND_IN to/from Senna Alata (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2011.10643995
  • 166. Outgoing r'ship FOUND_IN to/from Senna Alexandrina (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 167. Outgoing r'ship FOUND_IN to/from Senna Hirsuta (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2011.10643995
  • 168. Outgoing r'ship FOUND_IN to/from Senna Occidentalis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2011.10643995
  • 169. Outgoing r'ship FOUND_IN to/from Stachys Byzantina (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1405744
  • 170. Outgoing r'ship FOUND_IN to/from Stachys Lavandulifolia (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1405744
  • 171. Outgoing r'ship FOUND_IN to/from Strophanthus Sarmentosus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 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 Taxus Baccata (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2010.9700371
  • 174. Outgoing r'ship FOUND_IN to/from Taxus Wallichiana (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644112
  • 175. Outgoing r'ship FOUND_IN to/from Teucrium Chamaedrys (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2010.10643808
  • 176. Outgoing r'ship FOUND_IN to/from Teucrium Polium (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.935065
  • 177. Outgoing r'ship FOUND_IN to/from Thymus Fedtschenkoi (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1036
  • 178. Outgoing r'ship FOUND_IN to/from Thymus Kotschyanus (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1397
  • 179. Outgoing r'ship FOUND_IN to/from Thymus Migricus (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1036
  • 180. Outgoing r'ship FOUND_IN to/from Tilia Cordata (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2007.9699255
  • 181. Outgoing r'ship FOUND_IN to/from Torilis Leptophylla (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10662596
  • 182. Outgoing r'ship FOUND_IN to/from Trianthema Portulacastrum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2016.1205523
  • 183. Outgoing r'ship FOUND_IN to/from Trichosanthes Kirilowii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 184. Outgoing r'ship FOUND_IN to/from Trifolium Repens (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2010.9700417
  • 185. Outgoing r'ship FOUND_IN to/from Tussilago Farfara (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2011.10643595
  • 186. Outgoing r'ship FOUND_IN to/from Uncaria Macrophylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 187. Outgoing r'ship FOUND_IN to/from Vallisneria Spiralis (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1588
  • 188. Outgoing r'ship FOUND_IN to/from Verbascum Thapsus (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644063
  • 189. Outgoing r'ship FOUND_IN to/from Vincetoxicum Glaucescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 190. Outgoing r'ship FOUND_IN to/from Vincetoxicum Stauntonii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 191. Outgoing r'ship FOUND_IN to/from Zanthoxylum Armatum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972-060x.2003.10643348
  • 192. Outgoing r'ship FOUND_IN to/from Zea Mays (Plant) Rel Props:Source_db:fooddb_chem_all
  • 193. Outgoing r'ship FOUND_IN to/from Ziziphora Clinopodioides (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2005.10643447
  • 194. 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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