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Humulene epoxide II

PubChem CID: 10704181

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Compound Synonyms Humulene epoxide II, (-)-Humulene epoxide II, Humulene epoxide 2, Humulene II epoxide, Humulene-1,2-epoxide, 19888-34-7, (1R,3E,7E,11R)-1,5,5,8-Tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene, Humulene oxide II, 1,5,5,8-Tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene-, (1R,3E,7E,11R), 12-Oxabicyclo[9.1.0]dodeca-3,7-diene, 1,5,5,8-tetramethyl-, (E,E)-(1R,11R)-(-)-, 12-Oxabicyclo[9.1.0]dodeca-3,7-diene, 1,5,5,8-tetramethyl-, [1R-(1R*,3E,7E,11R*)]-, .alpha.-Humulene epoxide II, 1,5,5,8-Tetramethyl-12-oxabicyclo(9.1.0)dodeca-3,7-diene-, (1R,3E,7E,11R), 12-Oxabicyclo(9.1.0)dodeca-3,7-diene, 1,5,5,8-tetramethyl-, (1R-(1R*,3E,7E,11R*))-, 12-Oxabicyclo(9.1.0)dodeca-3,7-diene, 1,5,5,8-tetramethyl-, (E,E)-(1R,11R)-(-)-, 12-Oxabicyclo[9.1.0]dodeca-3,7-diene, 1,5,5,8-tetramethyl-, (1R,3E,7E,11R)-, CHEMBL3120651, 12-Oxabicyclo(9.1.0)dodeca-3,7-diene, 1,5,5,8-tetramethyl-, (1R,3E,7E,11R)-, CHEBI:195961, DTXSID301313865, AKOS040761846
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 12.5
Hydrogen Bond Donor Count 0.0
Pfizer 3 75 Rule False
Scaffold Graph Level C1CCCCC2CC2CCCC1
Np Classifier Class Humulane sesquiterpenoids
Deep Smiles C/C=CCCC)C)/C=C/C[C@@][C@@H]CC%11))O3))C
Heavy Atom Count 16.0
Classyfire Class Epoxides
Scaffold Graph Node Level C1CCCCC2OC2CCCC1
Isotope Atom Count 0.0
Molecular Complexity 324.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 2.0
Iupac Name (1R,3E,7E,11R)-1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene
Prediction Hob 1.0
Veber Rule True
Classyfire Superclass Organoheterocyclic compounds
Xlogp 3.8
Gsk 4 400 Rule False
Molecular Formula C15H24O
Scaffold Graph Node Bond Level C1=CCCC2OC2CC=CCC1
Prediction Swissadme 0.0
Inchi Key QTGAEXCCAPTGLB-UOAUIWSESA-N
Silicos It Class Soluble
Fcsp3 0.7333333333333333
Rotatable Bond Count 0.0
Synonyms alpha-humulene epoxide ii, humelene epoxyde ii, humilene epoxide ii, humulen epoxide ii, humulene epoxide 2, humulene epoxide ii, humulene epoxide ll, humulene epoxide-ii, humulene epoxideii, humulene expoxide-ii, humulene oxide ii, humulene oxide-ii, humulene-epoxide ii, humulene-epoxide(ii), humuleneepooxideii, humuleneepoxideii
Esol Class Soluble
Functional Groups C/C=C(/C)C, C/C=C/C, C[C@H]1O[C@@]1(C)C
Compound Name Humulene epoxide II
Prediction Hob Swissadme 0.0
Exact Mass 220.183
Formal Charge 0.0
Monoisotopic Mass 220.183
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 220.35
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 2.0
Total Bond Stereocenter Count 2.0
Lipinski Rule Of 5 True
Esol -3.6317071999999992
Inchi InChI=1S/C15H24O/c1-12-6-7-13-15(4,16-13)10-5-9-14(2,3)11-8-12/h5,8-9,13H,6-7,10-11H2,1-4H3/b9-5+,12-8+/t13-,15-/m1/s1
Smiles C/C/1=C\CC(/C=C/C[C@@]2([C@H](O2)CC1)C)(C)C
Np Classifier Biosynthetic Pathway Terpenoids
Defined Bond Stereocenter Count 2.0
Egan Rule True
Np Classifier Superclass Sesquiterpenoids

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  • 124. Outgoing r'ship FOUND_IN to/from Murraya Paniculata (Plant) Rel Props:Reference:ISBN:9770972795006
  • 125. Outgoing r'ship FOUND_IN to/from Myristica Malabarica (Plant) Rel Props:Reference:ISBN:9770972795006
  • 126. Outgoing r'ship FOUND_IN to/from Myrtus Communis (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730090610
  • 127. Outgoing r'ship FOUND_IN to/from Neolitsea Fischeri (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2008.9700012
  • 128. Outgoing r'ship FOUND_IN to/from Nepeta Nuda (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2012.751060
  • 129. Outgoing r'ship FOUND_IN to/from Ocimum Americanum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2017.1371087
  • 130. Outgoing r'ship FOUND_IN to/from Ocimum Basilicum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2016.1224686
  • 131. Outgoing r'ship FOUND_IN to/from Ocimum Campechianum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2007.10643547
  • 132. Outgoing r'ship FOUND_IN to/from Ocimum Gratissimum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2018.1495109
  • 133. Outgoing r'ship FOUND_IN to/from Ocimum Kilimandscharicum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2018.1495109
  • 134. Outgoing r'ship FOUND_IN to/from Ocimum Tenuiflorum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2016.1224686
  • 135. Outgoing r'ship FOUND_IN to/from Onosma Echioides (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2009.9700213
  • 136. Outgoing r'ship FOUND_IN to/from Origanum Majorana (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2016.1264276
  • 137. Outgoing r'ship FOUND_IN to/from Origanum Vulgare (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2007.10643545
  • 138. Outgoing r'ship FOUND_IN to/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 139. Outgoing r'ship FOUND_IN to/from Panax Quinquefolius (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2006.10643501
  • 140. Outgoing r'ship FOUND_IN to/from Pandanus Odorifer (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1331
  • 141. Outgoing r'ship FOUND_IN to/from Passiflora Foetida (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2009.10643715
  • 142. Outgoing r'ship FOUND_IN to/from Pelargonium Graveolens (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2019.1646164
  • 143. Outgoing r'ship FOUND_IN to/from Perilla Frutescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 144. Outgoing r'ship FOUND_IN to/from Perovskia Abrotanoides (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1508
  • 145. Outgoing r'ship FOUND_IN to/from Phlomoides Umbrosa (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2013.764184
  • 146. Outgoing r'ship FOUND_IN to/from Phyllanthus Muellerianus (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2019.1623721
  • 147. Outgoing r'ship FOUND_IN to/from Pinus Pinaster (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1178
  • 148. Outgoing r'ship FOUND_IN to/from Pinus Sylvestris (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2001.9699652
  • 149. Outgoing r'ship FOUND_IN to/from Piper Aduncum (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(1998070)13:4<269::aid-ffj744>3.0.co;2-a
  • 150. Outgoing r'ship FOUND_IN to/from Piper Cubeba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 151. Outgoing r'ship FOUND_IN to/from Piper Nigrum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2001.9699650
  • 152. Outgoing r'ship FOUND_IN to/from Pistacia Lentiscus (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1878
  • 153. Outgoing r'ship FOUND_IN to/from Pistacia Terebinthus (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2006.9699121
  • 154. Outgoing r'ship FOUND_IN to/from Platycladus Orientalis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1396927
  • 155. Outgoing r'ship FOUND_IN to/from Plectranthus Amboinicus (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1995.9698492
  • 156. Outgoing r'ship FOUND_IN to/from Plectranthus Barbatus (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2002.9699783
  • 157. Outgoing r'ship FOUND_IN to/from Pleiospermium Alatum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2011.9712273
  • 158. Outgoing r'ship FOUND_IN to/from Pogostemon Cablin (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2010.9700346
  • 159. Outgoing r'ship FOUND_IN to/from Polyalthia Longifolia (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.3215
  • 160. Outgoing r'ship FOUND_IN to/from Psidium Guajava (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1219
  • 161. Outgoing r'ship FOUND_IN to/from Pulicaria Dysenterica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2007.9699296
  • 162. Outgoing r'ship FOUND_IN to/from Rhaponticum Repens (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1670
  • 163. Outgoing r'ship FOUND_IN to/from Ribes Nigrum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2008.9700074
  • 164. Outgoing r'ship FOUND_IN to/from Rosmarinus Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2005.10643423
  • 165. Outgoing r'ship FOUND_IN to/from Salvia Leucantha (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2009.10643756
  • 166. Outgoing r'ship FOUND_IN to/from Salvia Nemorosa (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.3389
  • 167. Outgoing r'ship FOUND_IN to/from Salvia Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1914
  • 168. Outgoing r'ship FOUND_IN to/from Salvia Pratensis (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.3389
  • 169. Outgoing r'ship FOUND_IN to/from Salvia Sclarea (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.3389
  • 170. Outgoing r'ship FOUND_IN to/from Sanicula Europaea (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1672
  • 171. Outgoing r'ship FOUND_IN to/from Satureja Montana (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.3514
  • 172. Outgoing r'ship FOUND_IN to/from Senecio Nudicaulis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2018.1425642
  • 173. Outgoing r'ship FOUND_IN to/from Senna Alata (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2005.9698946
  • 174. Outgoing r'ship FOUND_IN to/from Solidago Canadensis (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1271
  • 175. Outgoing r'ship FOUND_IN to/from Solidago Virgaurea (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199811/12)13:6<373::aid-ffj749>3.0.co;2-g
  • 176. Outgoing r'ship FOUND_IN to/from Stevia Rebaudiana (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2006.9699390
  • 177. Outgoing r'ship FOUND_IN to/from Strobilanthes Callosus (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1992.9698062
  • 178. Outgoing r'ship FOUND_IN to/from Syzygium Aromaticum (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1364
  • 179. Outgoing r'ship FOUND_IN to/from Syzygium Cumini (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2016.1232608
  • 180. Outgoing r'ship FOUND_IN to/from Tetraclinis Articulata (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2015.1006142
  • 181. Outgoing r'ship FOUND_IN to/from Teucrium Chamaedrys (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2009.9700133
  • 182. Outgoing r'ship FOUND_IN to/from Teucrium Polium (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2018.1493406
  • 183. Outgoing r'ship FOUND_IN to/from Thymus Kotschyanus (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1397
  • 184. Outgoing r'ship FOUND_IN to/from Thymus Pulegioides (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.884773
  • 185. Outgoing r'ship FOUND_IN to/from Thymus Vulgaris (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1914
  • 186. Outgoing r'ship FOUND_IN to/from Tilia Cordata (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1359681
  • 187. Outgoing r'ship FOUND_IN to/from Torilis Leptophylla (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10662596
  • 188. Outgoing r'ship FOUND_IN to/from Triumfetta Rhomboidea (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1511
  • 189. Outgoing r'ship FOUND_IN to/from Valeriana Jatamansi (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2016.1189856
  • 190. Outgoing r'ship FOUND_IN to/from Vitex Negundo (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 191. Outgoing r'ship FOUND_IN to/from Xanthium Orientale (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.3084
  • 192. Outgoing r'ship FOUND_IN to/from Xanthium Strumarium (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2006.9699131
  • 193. Outgoing r'ship FOUND_IN to/from Xylopia Aethiopica (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2005.10643437
  • 194. Outgoing r'ship FOUND_IN to/from Zanthoxylum Armatum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2019.1630015
  • 195. Outgoing r'ship FOUND_IN to/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 196. Outgoing r'ship FOUND_IN to/from Zingiber Zerumbet (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 197. Outgoing r'ship FOUND_IN to/from Zinnia Elegans (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2000.9699552
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