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Linalool oxide B

PubChem CID: 11116492

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Compound Synonyms Linalool oxide B, 11063-77-7, 3,7-Dimethyl-1,6-octadien-3-ol epoxy deriv., cis-, 1,6-Octadien-3-ol, 3,7-dimethyl-, epoxy deriv., cis-, SCHEMBL11537314, DTXSID50881205, NS00081917, rel-(2R,5S)-5-Ethenyltetrahydro-I+/-,I+/-,5-trimethyl-2-furanmethanol
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 29.5
Hydrogen Bond Donor Count 1.0
Pfizer 3 75 Rule False
Scaffold Graph Level C1CCCC1
Np Classifier Class Acyclic monoterpenoids
Deep Smiles C=C[C@@]C)CC[C@H]O5)CO)C)C
Heavy Atom Count 12.0
Classyfire Class Oxolanes
Scaffold Graph Node Level C1CCOC1
Isotope Atom Count 0.0
Molecular Complexity 186.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 2.0
Iupac Name 2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]propan-2-ol
Prediction Hob 1.0
Veber Rule True
Classyfire Superclass Organoheterocyclic compounds
Xlogp 1.4
Gsk 4 400 Rule True
Molecular Formula C10H18O2
Scaffold Graph Node Bond Level C1CCOC1
Prediction Swissadme 1.0
Inchi Key BRHDDEIRQPDPMG-WPRPVWTQSA-N
Silicos It Class Soluble
Fcsp3 0.8
Logs -1.701
Rotatable Bond Count 2.0
Logd 1.446
Synonyms cis-linalol oxide, cis-linalol-oxide, cis-linaloloxide, cis-linalool oxide, cis-linalool oxide (furanoid), cis-linalool oxide f, cis-linalooloxide, cis-lmalol oxide, cis‐linalool oxide, linalool oxide b, linalool oxide,cis-
Esol Class Soluble
Functional Groups C=CC, CO, COC
Compound Name Linalool oxide B
Prediction Hob Swissadme 1.0
Exact Mass 170.131
Formal Charge 0.0
Monoisotopic Mass 170.131
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 170.25
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 -2.2944624
Inchi InChI=1S/C10H18O2/c1-5-10(4)7-6-8(12-10)9(2,3)11/h5,8,11H,1,6-7H2,2-4H3/t8-,10-/m0/s1
Smiles C[C@@]1(CC[C@H](O1)C(C)(C)O)C=C
Nring 1.0
Np Classifier Biosynthetic Pathway Terpenoids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Np Classifier Superclass Monoterpenoids

  • 1. Outgoing r'ship FOUND_IN to/from Acacia Adunca (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 2. Outgoing r'ship FOUND_IN to/from Achillea Millefolium (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2016.1150216
  • 3. Outgoing r'ship FOUND_IN to/from Acorus Calamus (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2002.9699886
  • 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 Adiantum Lunulatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 6. Outgoing r'ship FOUND_IN to/from Ailanthus Altissima (Plant) Rel Props:Reference:https://doi.org/10.1002/cbdv.201300409
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  • 29. Outgoing r'ship FOUND_IN to/from Boesenbergia Rotunda (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.956
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  • 134. Outgoing r'ship FOUND_IN to/from Litsea Cubeba (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1998.9700927
  • 135. Outgoing r'ship FOUND_IN to/from Luma Chequen (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1565
  • 136. Outgoing r'ship FOUND_IN to/from Lysimachia Mauritiana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 137. Outgoing r'ship FOUND_IN to/from Machilus Gamblei (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1997.9699455
  • 138. Outgoing r'ship FOUND_IN to/from Magnolia Champaca (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1991.9700493
  • 139. Outgoing r'ship FOUND_IN to/from Magnolia Grandiflora (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644108
  • 140. Outgoing r'ship FOUND_IN to/from Magnolia Obovata (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1994.9699345
  • 141. Outgoing r'ship FOUND_IN to/from Mangifera Indica (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2010.10643795
  • 142. Outgoing r'ship FOUND_IN to/from Marrubium Anisodon (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 143. Outgoing r'ship FOUND_IN to/from Matricaria Chamomilla (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.895210
  • 144. Outgoing r'ship FOUND_IN to/from Melissa Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2008.9700034
  • 145. Outgoing r'ship FOUND_IN to/from Mentha Arvensis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1995.9698515
  • 146. Outgoing r'ship FOUND_IN to/from Mentha Piperita (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1995.9698515
  • 147. Outgoing r'ship FOUND_IN to/from Mentha Pulegium (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2010.10643811
  • 148. Outgoing r'ship FOUND_IN to/from Mentha Spicata (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2004.9698773
  • 149. Outgoing r'ship FOUND_IN to/from Momordica Charantia (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2009.9700201
  • 150. Outgoing r'ship FOUND_IN to/from Moringa Oleifera (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2013.813189
  • 151. Outgoing r'ship FOUND_IN to/from Murraya Koenigii (Plant) Rel Props:Reference:ISBN:9770972795006
  • 152. Outgoing r'ship FOUND_IN to/from Myristica Fragrans (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2004.9698679
  • 153. Outgoing r'ship FOUND_IN to/from Myrtus Communis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.981599
  • 154. Outgoing r'ship FOUND_IN to/from Narcissus Tazetta (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2007.10643526
  • 155. Outgoing r'ship FOUND_IN to/from Naucleopsis Ternstroemiiflora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 156. Outgoing r'ship FOUND_IN to/from Neolitsea Fischeri (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2008.9700012
  • 157. Outgoing r'ship FOUND_IN to/from Ocimum Americanum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2017.1371087
  • 158. Outgoing r'ship FOUND_IN to/from Ocimum Basilicum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2018.1425640
  • 159. Outgoing r'ship FOUND_IN to/from Ocimum Gratissimum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2017.1371087
  • 160. Outgoing r'ship FOUND_IN to/from Ocimum Tenuiflorum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2012.751057
  • 161. Outgoing r'ship FOUND_IN to/from Origanum Majorana (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644078
  • 162. Outgoing r'ship FOUND_IN to/from Origanum Onites (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730080608
  • 163. Outgoing r'ship FOUND_IN to/from Origanum Vulgare (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2002.9699865
  • 164. Outgoing r'ship FOUND_IN to/from Osmanthus Fragrans (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1989.9697802
  • 165. Outgoing r'ship FOUND_IN to/from Pachira Aquatica (Plant) Rel Props:Reference:https://doi.org/10.1080/0972-060x.2003.10643337
  • 166. Outgoing r'ship FOUND_IN to/from Pandanus Odorifer (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2000.9699491
  • 167. Outgoing r'ship FOUND_IN to/from Passiflora Foetida (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2009.10643715
  • 168. Outgoing r'ship FOUND_IN to/from Pastinaca Sativa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 169. Outgoing r'ship FOUND_IN to/from Pelargonium Graveolens (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2005.10643417
  • 170. 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
  • 171. Outgoing r'ship FOUND_IN to/from Peltostigma Guatemalense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 172. Outgoing r'ship FOUND_IN to/from Persea Americana (Plant) Rel Props:Reference:ISBN:9788172362461
  • 173. Outgoing r'ship FOUND_IN to/from Petroselinum Crispum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2000.9712206
  • 174. Outgoing r'ship FOUND_IN to/from Peucedanum Officinale (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2006.9699200
  • 175. Outgoing r'ship FOUND_IN to/from Phoebe Pittieri (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 176. Outgoing r'ship FOUND_IN to/from Phyllanthus Amarus (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2009.9700201
  • 177. Outgoing r'ship FOUND_IN to/from Pimenta Racemosa (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1991.9697952
  • 178. Outgoing r'ship FOUND_IN to/from Pinus Pinaster (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1178
  • 179. Outgoing r'ship FOUND_IN to/from Piper Nigrum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2001.9699650
  • 180. Outgoing r'ship FOUND_IN to/from Pistacia Lentiscus (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730060406
  • 181. Outgoing r'ship FOUND_IN to/from Plumeria Rubra (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2006.9699182
  • 182. Outgoing r'ship FOUND_IN to/from Premna Odorata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 183. Outgoing r'ship FOUND_IN to/from Prunus Mahaleb (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1596
  • 184. Outgoing r'ship FOUND_IN to/from Psidium Guajava (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2001.9699607
  • 185. Outgoing r'ship FOUND_IN to/from Pyrus Communis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2018.1553637
  • 186. Outgoing r'ship FOUND_IN to/from Rauvolfia Vomitoria (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 187. Outgoing r'ship FOUND_IN to/from Rhus Coriaria (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1993.9698267
  • 188. Outgoing r'ship FOUND_IN to/from Rosa Damascena (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2015.1099120
  • 189. Outgoing r'ship FOUND_IN to/from Rosmarinus Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2002.9699865
  • 190. Outgoing r'ship FOUND_IN to/from Rubus Ulmifolius (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2002.9699766
  • 191. Outgoing r'ship FOUND_IN to/from Rumex Maritimus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 192. Outgoing r'ship FOUND_IN to/from Salvia Nemorosa (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2004.9698775
  • 193. Outgoing r'ship FOUND_IN to/from Salvia Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2002.9699865
  • 194. Outgoing r'ship FOUND_IN to/from Salvia Sclarea (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730060212
  • 195. Outgoing r'ship FOUND_IN to/from Salvia Syriaca (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 196. Outgoing r'ship FOUND_IN to/from Salvia Verbenaca (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2010.9700369
  • 197. Outgoing r'ship FOUND_IN to/from Satureja Hortensis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2000.9712206
  • 198. Outgoing r'ship FOUND_IN to/from Satureja Montana (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2009.10643720
  • 199. Outgoing r'ship FOUND_IN to/from Scutellaria Amoena (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 200. Outgoing r'ship FOUND_IN to/from Senna Alata (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2005.9698946
  • 201. Outgoing r'ship FOUND_IN to/from Skimmia Laureola (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.886964
  • 202. Outgoing r'ship FOUND_IN to/from Solanum Laxum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 203. Outgoing r'ship FOUND_IN to/from Spondias Dulcis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2001.9699686
  • 204. Outgoing r'ship FOUND_IN to/from Spondias Mombin (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1992.9698127
  • 205. Outgoing r'ship FOUND_IN to/from Styrax Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1731
  • 206. Outgoing r'ship FOUND_IN to/from Swertia Franchetiana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 207. Outgoing r'ship FOUND_IN to/from Tagetes Erecta (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2005.9698958
  • 208. Outgoing r'ship FOUND_IN to/from Tagetes Minuta (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1358
  • 209. Outgoing r'ship FOUND_IN to/from Tagetes Terniflora (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1379
  • 210. Outgoing r'ship FOUND_IN to/from Tamarindus Indica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2004.9698731
  • 211. Outgoing r'ship FOUND_IN to/from Telosma Cordata (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730080410
  • 212. Outgoing r'ship FOUND_IN to/from Theobroma Cacao (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2010.9700276
  • 213. Outgoing r'ship FOUND_IN to/from Thymbra Capitata (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2010.10643811
  • 214. Outgoing r'ship FOUND_IN to/from Thymus Fedtschenkoi (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1036
  • 215. Outgoing r'ship FOUND_IN to/from Thymus Kotschyanus (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2013.854498
  • 216. Outgoing r'ship FOUND_IN to/from Thymus Migricus (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1036
  • 217. Outgoing r'ship FOUND_IN to/from Thymus Praecox (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1996.9700624
  • 218. Outgoing r'ship FOUND_IN to/from Thymus Vulgaris (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2007.10643539
  • 219. Outgoing r'ship FOUND_IN to/from Tilia Cordata (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2007.9699255
  • 220. Outgoing r'ship FOUND_IN to/from Tithonia Diversifolia (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1992.9698153
  • 221. Outgoing r'ship FOUND_IN to/from Trifolium Repens (Plant) Rel Props:Reference:ISBN:9788185042084
  • 222. Outgoing r'ship FOUND_IN to/from Triphasia Trifolia (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2006.9699376
  • 223. Outgoing r'ship FOUND_IN to/from Triticum Aestivum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2007.9699245
  • 224. Outgoing r'ship FOUND_IN to/from Triumfetta Rhomboidea (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1511
  • 225. Outgoing r'ship FOUND_IN to/from Vaccinium Oxycoccos (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 226. Outgoing r'ship FOUND_IN to/from Viguiera Incana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 227. Outgoing r'ship FOUND_IN to/from Viscum Album (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1996.9701029
  • 228. Outgoing r'ship FOUND_IN to/from Vitex Negundo (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2005.9698971
  • 229. Outgoing r'ship FOUND_IN to/from Vitis Vinifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 230. Outgoing r'ship FOUND_IN to/from Wikstroemia Retusa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 231. Outgoing r'ship FOUND_IN to/from Zanthoxylum Armatum (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1024
  • 232. Outgoing r'ship FOUND_IN to/from Zanthoxylum Rhetsa (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2000.9699492
  • 233. Outgoing r'ship FOUND_IN to/from Zanthoxylum Tetraspermum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 234. Outgoing r'ship FOUND_IN to/from Zingiber Officinale (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2004.9698692
  • 235. Outgoing r'ship FOUND_IN to/from Zingiber Zerumbet (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1940
  • 236. 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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