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7-Oxabicyclo4.1.0heptan-2-one, 6-methyl-3-(1-methylethylidene)-

PubChem CID: 61942

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Compound Synonyms Piperitenone oxide, 35178-55-3, 6-methyl-3-propan-2-ylidene-7-oxabicyclo[4.1.0]heptan-2-one, 1,2-Epoxy-p-menth-4(8)-en-3-one, 7-Oxabicyclo4.1.0heptan-2-one, 6-methyl-3-(1-methylethylidene)-, [1S,6S,(+)]-6-Methyl-3-(1-methylethylidene)-7-oxabicyclo[4.1.0]heptane-2-one, P-Menth-4(8)-en-3-one, 1,2-epoxy-, SCHEMBL3504077, DTXSID00865752, 6-Methyl-3-(1-methylethylidene)-7-oxabicyclo(4.1.0)heptan-2-one, 7-Oxabicyclo(4.1.0)heptan-2-one, 6-methyl-3-(1-methylethylidene)-, DA-48922, 2,3-Epoxy-6-isopropylidene-3-methylcyclohexanone, 6-Methyl-3-(1-methylethylidene)-7-oxabicyclo[4.1.0]heptan-2-one, 9CI, 6-METHYL-3-(PROPAN-2-YLIDENE)-7-OXABICYCLO[4.1.0]HEPTAN-2-ONE
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 29.6
Hydrogen Bond Donor Count 0.0
Pfizer 3 75 Rule False
Scaffold Graph Level CC1CCC2CC2C1C
Np Classifier Class Menthane monoterpenoids
Deep Smiles CC=CCCCCC6=O))O3))C)))))C
Heavy Atom Count 12.0
Classyfire Class Oxepanes
Description Constituent of Mentha rotundifolia and other Mentha subspecies Flavouring ingredient. Rotundifolone is found in cornmint, spearmint, and herbs and spices.
Scaffold Graph Node Level CC1CCC2OC2C1O
Isotope Atom Count 0.0
Molecular Complexity 274.0
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 6-methyl-3-propan-2-ylidene-7-oxabicyclo[4.1.0]heptan-2-one
Prediction Hob 1.0
Class Oxepanes
Veber Rule True
Classyfire Superclass Organoheterocyclic compounds
Xlogp 1.8
Superclass Organoheterocyclic compounds
Gsk 4 400 Rule True
Molecular Formula C10H14O2
Scaffold Graph Node Bond Level C=C1CCC2OC2C1=O
Prediction Swissadme 0.0
Inchi Key AKASWINDKIEEBO-UHFFFAOYSA-N
Silicos It Class Soluble
Fcsp3 0.7
Logs -2.289
Rotatable Bond Count 0.0
State Solid
Logd 1.767
Synonyms 1,2-Epoxy-P-menth-4(8)-en-3-one, 2,3-Epoxy-6-isopropylidene-3-methylcyclohexanone, 6-Methyl-3-(1-methylethylidene)-7-oxabicyclo[4.1.0]heptan-2-one, 9CI, P-Menth-4(8)-en-3-one, 1,2-epoxy-, Piperitenone oxide, Rotundifolone, 6-Methyl-3-(1-methylethylidene)-7-oxabicyclo[4.1.0]heptan-2-one, 9ci, piperitenone oxide, piperitenone oxide, piperitenone oxide*, piperitenoneoxide, piperitone oxide, piperitone oxide', pipertitenone oxide, pipertone oxide
Substituent Name Oxepane, Cyclohexanone, Ketone, Oxacycle, Ether, Oxirane, Dialkyl ether, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Aliphatic heteropolycyclic compound
Esol Class Soluble
Functional Groups CC(C)=C1CCC2(C)OC2C1=O
Compound Name 7-Oxabicyclo4.1.0heptan-2-one, 6-methyl-3-(1-methylethylidene)-
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 166.099
Formal Charge 0.0
Monoisotopic Mass 166.099
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 166.22
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 2.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aliphatic heteropolycyclic compounds
Lipinski Rule Of 5 True
Esol -2.0234639999999997
Inchi InChI=1S/C10H14O2/c1-6(2)7-4-5-10(3)9(12-10)8(7)11/h9H,4-5H2,1-3H3
Smiles CC(=C1CCC2(C(C1=O)O2)C)C
Nring 2.0
Np Classifier Biosynthetic Pathway Terpenoids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Taxonomy Direct Parent Oxepanes
Np Classifier Superclass Monoterpenoids

  • 1. Outgoing r'ship FOUND_IN to/from Achillea Santolina (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1147
  • 2. Outgoing r'ship FOUND_IN to/from Actaea Spicata (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Adenosma Indianum (Plant) Rel Props:Reference:ISBN:9788185042084
  • 4. Outgoing r'ship FOUND_IN to/from Aegialitis Rotundifolia (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Aloe Spicata (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Amphorogyne Spicata (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Anagallis Arvensis (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Androsace Rotundifolia (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Aquilegia Fragrans (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Artemisia Absinthium (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2010.10643792
  • 11. Outgoing r'ship FOUND_IN to/from Artemisia Annua (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.895181
  • 12. Outgoing r'ship FOUND_IN to/from Artemisia Persica (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.895181
  • 13. Outgoing r'ship FOUND_IN to/from Artemisia Scoparia (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.895181
  • 14. Outgoing r'ship FOUND_IN to/from Artemisia Vulgaris (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2010.10643792
  • 15. Outgoing r'ship FOUND_IN to/from Austrotaxus Spicata (Plant) Rel Props:Reference:
  • 16. Outgoing r'ship FOUND_IN to/from Buglossoides Arvensis (Plant) Rel Props:Reference:
  • 17. Outgoing r'ship FOUND_IN to/from Bursera Graveolens (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2018.1564381
  • 18. Outgoing r'ship FOUND_IN to/from Calendula Arvensis (Plant) Rel Props:Reference:
  • 19. Outgoing r'ship FOUND_IN to/from Campanula Rotundifolia (Plant) Rel Props:Reference:
  • 20. Outgoing r'ship FOUND_IN to/from Capparis Rotundifolia (Plant) Rel Props:Reference:
  • 21. Outgoing r'ship FOUND_IN to/from Cautleya Spicata (Plant) Rel Props:Reference:
  • 22. Outgoing r'ship FOUND_IN to/from Cheilanthes Fragrans (Plant) Rel Props:Reference:
  • 23. Outgoing r'ship FOUND_IN to/from Chenemorpha Fragrans (Plant) Rel Props:Reference:
  • 24. Outgoing r'ship FOUND_IN to/from Chimonanthus Fragrans (Plant) Rel Props:Reference:
  • 25. Outgoing r'ship FOUND_IN to/from Chonemorpha Fragrans (Plant) Rel Props:Reference:
  • 26. Outgoing r'ship FOUND_IN to/from Cichorium Intybus (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644038
  • 27. Outgoing r'ship FOUND_IN to/from Clerodendron Fragrans (Plant) Rel Props:Reference:
  • 28. Outgoing r'ship FOUND_IN to/from Clinopodium Bolivianum (Plant) Rel Props:Reference:https://doi.org/10.1002/1099-1026(200011/12)15:6<377::aid-ffj926>3.0.co;2-p
  • 29. Outgoing r'ship FOUND_IN to/from Clinopodium Gilliesii (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730100210
  • 30. Outgoing r'ship FOUND_IN to/from Clinopodium Nepeta (Plant) Rel Props:Reference:ISBN:9770972795006
  • 31. Outgoing r'ship FOUND_IN to/from Clinopodium Odorum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1993.9698276
  • 32. Outgoing r'ship FOUND_IN to/from Clinopodium Serpyllifolium (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1991.9697994
  • 33. Outgoing r'ship FOUND_IN to/from Clinopodium Umbrosum (Plant) Rel Props:Reference:ISBN:9788185042114
  • 34. Outgoing r'ship FOUND_IN to/from Clinopodium Vulgare (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199805/06)13:3<170::aid-ffj721>3.0.co;2-h
  • 35. Outgoing r'ship FOUND_IN to/from Codonopsis Rotundifolia (Plant) Rel Props:Reference:
  • 36. Outgoing r'ship FOUND_IN to/from Convolvulus Arvensis (Plant) Rel Props:Reference:
  • 37. Outgoing r'ship FOUND_IN to/from Cotoneaster Rotundifolia (Plant) Rel Props:Reference:
  • 38. Outgoing r'ship FOUND_IN to/from Drosera Rotundifolia (Plant) Rel Props:Reference:
  • 39. Outgoing r'ship FOUND_IN to/from Elsholtzia Densa (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644037
  • 40. Outgoing r'ship FOUND_IN to/from Engelhardtia Spicata (Plant) Rel Props:Reference:
  • 41. Outgoing r'ship FOUND_IN to/from Eucalyptus Globulus (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2003.9712115
  • 42. Outgoing r'ship FOUND_IN to/from Fagraea Fragrans (Plant) Rel Props:Reference:
  • 43. Outgoing r'ship FOUND_IN to/from Filago Arvensis (Plant) Rel Props:Reference:
  • 44. Outgoing r'ship FOUND_IN to/from Foeniculum Vulgare (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1994.9698394
  • 45. Outgoing r'ship FOUND_IN to/from Garcinia Spicata (Plant) Rel Props:Reference:
  • 46. Outgoing r'ship FOUND_IN to/from Gentiana Spicata (Plant) Rel Props:Reference:
  • 47. Outgoing r'ship FOUND_IN to/from Goniothalamus Arvensis (Plant) Rel Props:Reference:
  • 48. Outgoing r'ship FOUND_IN to/from Heteropanax Fragrans (Plant) Rel Props:Reference:
  • 49. Outgoing r'ship FOUND_IN to/from Hydrocotyle Rotundifolia (Plant) Rel Props:Reference:
  • 50. Outgoing r'ship FOUND_IN to/from Hyssopus Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1421
  • 51. Outgoing r'ship FOUND_IN to/from Indigofera Spicata (Plant) Rel Props:Reference:
  • 52. Outgoing r'ship FOUND_IN to/from Juniperus Excelsa (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2014.947388
  • 53. Outgoing r'ship FOUND_IN to/from Lens Culinaris (Plant) Rel Props:Reference:ISBN:9770972795006
  • 54. Outgoing r'ship FOUND_IN to/from Liatris Spicata (Plant) Rel Props:Reference:
  • 55. Outgoing r'ship FOUND_IN to/from Lindernia Rotundifolia (Plant) Rel Props:Reference:
  • 56. Outgoing r'ship FOUND_IN to/from Liriope Spicata (Plant) Rel Props:Reference:
  • 57. Outgoing r'ship FOUND_IN to/from Litsea Rotundifolia (Plant) Rel Props:Reference:
  • 58. Outgoing r'ship FOUND_IN to/from Malva Rotundifolia (Plant) Rel Props:Reference:
  • 59. Outgoing r'ship FOUND_IN to/from Mannia Fragrans (Plant) Rel Props:Reference:
  • 60. Outgoing r'ship FOUND_IN to/from Melilotus Officinalis (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/20405142
  • 61. Outgoing r'ship FOUND_IN to/from Mentha Aquatica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2006.9699082
  • 62. Outgoing r'ship FOUND_IN to/from Mentha Arvensis (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all
  • 63. Outgoing r'ship FOUND_IN to/from Mentha Canadensis (Plant) Rel Props:Reference:
  • 64. Outgoing r'ship FOUND_IN to/from Mentha Cardiaca (Plant) Rel Props:Reference:
  • 65. Outgoing r'ship FOUND_IN to/from Mentha Cordifolia (Plant) Rel Props:Reference:
  • 66. Outgoing r'ship FOUND_IN to/from Mentha Diemenica (Plant) Rel Props:Reference:
  • 67. Outgoing r'ship FOUND_IN to/from Mentha Gattefossei (Plant) Rel Props:Reference:
  • 68. Outgoing r'ship FOUND_IN to/from Mentha Grandiflora (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1997.9700749
  • 69. Outgoing r'ship FOUND_IN to/from Mentha Incana (Plant) Rel Props:Reference:
  • 70. Outgoing r'ship FOUND_IN to/from Mentha Japonica (Plant) Rel Props:Reference:
  • 71. Outgoing r'ship FOUND_IN to/from Mentha Longifolia (Plant) Rel Props:Source_db:fooddb_chem_all
  • 72. Outgoing r'ship FOUND_IN to/from Mentha Piperita (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2013.813279
  • 73. Outgoing r'ship FOUND_IN to/from Mentha Pulegiformis (Plant) Rel Props:Reference:
  • 74. Outgoing r'ship FOUND_IN to/from Mentha Pulegium (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1766
  • 75. Outgoing r'ship FOUND_IN to/from Mentha Requienii (Plant) Rel Props:Reference:
  • 76. Outgoing r'ship FOUND_IN to/from Mentha Rotundifolia (Plant) Rel Props:Source_db:npass_chem_all
  • 77. Outgoing r'ship FOUND_IN to/from Mentha Spicata (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all
  • 78. Outgoing r'ship FOUND_IN to/from Mentha Suaveolens (Plant) Rel Props:Reference:
  • 79. Outgoing r'ship FOUND_IN to/from Mentha Sylvestris (Plant) Rel Props:Reference:
  • 80. Outgoing r'ship FOUND_IN to/from Mentha Timija (Plant) Rel Props:Reference:
  • 81. Outgoing r'ship FOUND_IN to/from Mentha X (Plant) Rel Props:Reference:
  • 82. Outgoing r'ship FOUND_IN to/from Mitragyna Rotundifolia (Plant) Rel Props:Reference:
  • 83. Outgoing r'ship FOUND_IN to/from Moullava Spicata (Plant) Rel Props:Reference:
  • 84. Outgoing r'ship FOUND_IN to/from Myristica Andamanica (Plant) Rel Props:Reference:
  • 85. Outgoing r'ship FOUND_IN to/from Myristica Argentea (Plant) Rel Props:Reference:
  • 86. Outgoing r'ship FOUND_IN to/from Myristica Cagayanensis (Plant) Rel Props:Reference:
  • 87. Outgoing r'ship FOUND_IN to/from Myristica Dactyloides (Plant) Rel Props:Reference:
  • 88. Outgoing r'ship FOUND_IN to/from Myristica Fragrans (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 89. Outgoing r'ship FOUND_IN to/from Myristica Gigantea (Plant) Rel Props:Reference:
  • 90. Outgoing r'ship FOUND_IN to/from Myristica Malabarica (Plant) Rel Props:Reference:
  • 91. Outgoing r'ship FOUND_IN to/from Myristica Officinalis (Plant) Rel Props:Reference:
  • 92. Outgoing r'ship FOUND_IN to/from Myristica Otoba (Plant) Rel Props:Reference:
  • 93. Outgoing r'ship FOUND_IN to/from Nigella Arvensis (Plant) Rel Props:Reference:
  • 94. Outgoing r'ship FOUND_IN to/from Ocimum Basilicum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1280418
  • 95. Outgoing r'ship FOUND_IN to/from Origanum Majorana (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2004.9698713
  • 96. Outgoing r'ship FOUND_IN to/from Origanum Vulgare (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1993.9698253
  • 97. Outgoing r'ship FOUND_IN to/from Osmanthus Fragrans (Plant) Rel Props:Reference:
  • 98. Outgoing r'ship FOUND_IN to/from Pelargonium Fragrans (Plant) Rel Props:Reference:
  • 99. Outgoing r'ship FOUND_IN to/from Perovskia Abrotanoides (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2009.10643712
  • 100. Outgoing r'ship FOUND_IN to/from Plectranthus Glandulosus (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2001.9699615
  • 101. Outgoing r'ship FOUND_IN to/from Plectranthus Mollis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1992.9698010
  • 102. Outgoing r'ship FOUND_IN to/from Polyalthia Fragrans (Plant) Rel Props:Reference:
  • 103. Outgoing r'ship FOUND_IN to/from Polygala Arvensis (Plant) Rel Props:Reference:
  • 104. Outgoing r'ship FOUND_IN to/from Pulicaria Dysenterica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2007.9699296
  • 105. Outgoing r'ship FOUND_IN to/from Pyrola Rotundifolia (Plant) Rel Props:Reference:
  • 106. Outgoing r'ship FOUND_IN to/from Ranunculus Arvensis (Plant) Rel Props:Reference:
  • 107. Outgoing r'ship FOUND_IN to/from Rotala Rotundifolia (Plant) Rel Props:Reference:
  • 108. Outgoing r'ship FOUND_IN to/from Schefflera Rotundifolia (Plant) Rel Props:Reference:
  • 109. Outgoing r'ship FOUND_IN to/from Schenkia Spicata (Plant) Rel Props:Reference:
  • 110. Outgoing r'ship FOUND_IN to/from Sinapis Arvensis (Plant) Rel Props:Reference:
  • 111. Outgoing r'ship FOUND_IN to/from Sonchus Arvensis (Plant) Rel Props:Reference:
  • 112. Outgoing r'ship FOUND_IN to/from Spergula Arvensis (Plant) Rel Props:Reference:
  • 113. Outgoing r'ship FOUND_IN to/from Symplocos Spicata (Plant) Rel Props:Reference:
  • 114. Outgoing r'ship FOUND_IN to/from Tagetes Erecta (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2002.9699913
  • 115. Outgoing r'ship FOUND_IN to/from Thunbergia Fragrans (Plant) Rel Props:Reference:
  • 116. Outgoing r'ship FOUND_IN to/from Thymbra Capitata (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2014.947388
  • 117. Outgoing r'ship FOUND_IN to/from Thymbra Spicata (Plant) Rel Props:Reference:
  • 118. Outgoing r'ship FOUND_IN to/from Tillandsia Fragrans (Plant) Rel Props:Reference:
  • 119. Outgoing r'ship FOUND_IN to/from Tithonia Rotundifolia (Plant) Rel Props:Reference:
  • 120. Outgoing r'ship FOUND_IN to/from Torilis Arvensis (Plant) Rel Props:Reference:
  • 121. Outgoing r'ship FOUND_IN to/from Triumfetta Rotundifolia (Plant) Rel Props:Reference:
  • 122. Outgoing r'ship FOUND_IN to/from Veronica Arvensis (Plant) Rel Props:Reference:
  • 123. Outgoing r'ship FOUND_IN to/from Vitex Rotundifolia (Plant) Rel Props:Reference:
  • 124. Outgoing r'ship FOUND_IN to/from Wagatea Spicata (Plant) Rel Props:Reference:
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