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Cyperene

PubChem CID: 12308843

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Compound Synonyms Cyperene, (-)-cyperene, 2387-78-2, NSC 241249, (1R,7R,10R)-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-4-ene, 3H-3a,7-Methanoazulene, 2,4,5,6,7,8-hexahydro-1,4,9,9-tetramethyl-, (3aR-(3aalpha,4beta,7alpha))-, 4,10,11,11-tetramethyltricyclo(5.3.1.01,5)undec-4-ene, 4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-4-ene, CHEBI:232787, DTXSID501037156, LMPR0103450002, 3H-3abeta,7-Methanoazulene, 2,4,5,6,7alpha,8-hexahydro-1,4alpha,9,9-tetramethyl-, (-)-, 851-129-1
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 0.0
Hydrogen Bond Donor Count 0.0
Pfizer 3 75 Rule False
Scaffold Graph Level C1CC2CC3CCCC3(C1)C2
Np Classifier Class Patchoulane sesquiterpenoids
Deep Smiles CC=CC[C@@H]C[C@@]5CC8))[C@H]C)CC6))))C)C
Heavy Atom Count 15.0
Classyfire Class Prenol lipids
Scaffold Graph Node Level C1CC2CC3CCCC3(C1)C2
Classyfire Subclass Sesquiterpenoids
Isotope Atom Count 0.0
Molecular Complexity 334.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 3.0
Iupac Name (1R,7R,10R)-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-4-ene
Prediction Hob 1.0
Veber Rule True
Classyfire Superclass Lipids and lipid-like molecules
Xlogp 4.3
Gsk 4 400 Rule False
Molecular Formula C15H24
Scaffold Graph Node Bond Level C1=C2CC3CCCC2(CC1)C3
Prediction Swissadme 0.0
Inchi Key RTBLDXVIGWSICW-JMSVASOKSA-N
Silicos It Class Soluble
Fcsp3 0.8666666666666667
Logs -5.648
Rotatable Bond Count 0.0
Logd 4.744
Synonyms cyperene, cyperene i
Esol Class Soluble
Functional Groups CC(C)=C(C)C
Compound Name Cyperene
Prediction Hob Swissadme 0.0
Exact Mass 204.188
Formal Charge 0.0
Monoisotopic Mass 204.188
Hydrogen Bond Acceptor Count 0.0
Molecular Weight 204.35
Gi Absorption False
Covalent Unit Count 1.0
Total Atom Stereocenter Count 3.0
Total Bond Stereocenter Count 0.0
Lipinski Rule Of 5 True
Esol -3.828613399999999
Inchi InChI=1S/C15H24/c1-10-7-8-15-11(2)5-6-12(9-13(10)15)14(15,3)4/h11-12H,5-9H2,1-4H3/t11-,12-,15+/m1/s1
Smiles C[C@@H]1CC[C@@H]2CC3=C(CC[C@]13C2(C)C)C
Nring 3.0
Np Classifier Biosynthetic Pathway Terpenoids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Np Classifier Superclass Sesquiterpenoids

  • 1. Outgoing r'ship FOUND_IN to/from Acmella Oleracea (Plant) Rel Props:Reference:https://doi.org/10.1016/j.jep.2018.08.030
  • 2. Outgoing r'ship FOUND_IN to/from Adenocarpus Foliolosus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 3. Outgoing r'ship FOUND_IN to/from Anthoxanthum Nitens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 4. Outgoing r'ship FOUND_IN to/from Arctium Lappa (Plant) Rel Props:Reference:https://doi.org/10.22034/ijps.2018.88539.1447
  • 5. Outgoing r'ship FOUND_IN to/from Atractylodes Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 6. Outgoing r'ship FOUND_IN to/from Atractylodes Lancea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 7. Outgoing r'ship FOUND_IN to/from Ayapana Triplinervis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1999.9701210
  • 8. Outgoing r'ship FOUND_IN to/from Betula Exilis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 9. Outgoing r'ship FOUND_IN to/from Campsis Grandiflora (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730040304
  • 10. Outgoing r'ship FOUND_IN to/from Chloroxylon Swietenia (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2013.782472
  • 11. Outgoing r'ship FOUND_IN to/from Chromolaena Arnottiana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 12. Outgoing r'ship FOUND_IN to/from Chromolaena Odorata (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2013.793971
  • 13. Outgoing r'ship FOUND_IN to/from Chrysopogon Zizanioides (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2006.9699129
  • 14. Outgoing r'ship FOUND_IN to/from Cirsium Japonicum (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1135
  • 15. Outgoing r'ship FOUND_IN to/from Clethra Macrophylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 16. Outgoing r'ship FOUND_IN to/from Cyperus Alopecuroides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 17. Outgoing r'ship FOUND_IN to/from Cyperus Articulatus (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2013.813288
  • 18. Outgoing r'ship FOUND_IN to/from Cyperus Difformis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644018
  • 19. Outgoing r'ship FOUND_IN to/from Cyperus Esculentus (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2013.813288
  • 20. Outgoing r'ship FOUND_IN to/from Cyperus Haspan (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 21. Outgoing r'ship FOUND_IN to/from Cyperus Iria (Plant) Rel Props:Reference:ISBN:9788185042084
  • 22. Outgoing r'ship FOUND_IN to/from Cyperus Rotundus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 23. Outgoing r'ship FOUND_IN to/from Cyperus Scariosus (Plant) Rel Props:Reference:ISBN:9770972795006
  • 24. Outgoing r'ship FOUND_IN to/from Eucalyptus Globulus (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199907/08)14:4<214::aid-ffj814>3.0.co;2-h
  • 25. Outgoing r'ship FOUND_IN to/from Garcinia Mangostana (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.884759
  • 26. Outgoing r'ship FOUND_IN to/from Globba Sessiliflora (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2010.9700307
  • 27. Outgoing r'ship FOUND_IN to/from Gynura Bicolor (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2016
  • 28. Outgoing r'ship FOUND_IN to/from Hibiscus Surattensis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2013.860410
  • 29. Outgoing r'ship FOUND_IN to/from Hierochloe Odorata (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730060108
  • 30. Outgoing r'ship FOUND_IN to/from Ichthyothere Terminalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 31. Outgoing r'ship FOUND_IN to/from Illicium Verum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 32. Outgoing r'ship FOUND_IN to/from Inula Cappa (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2015.1090935
  • 33. Outgoing r'ship FOUND_IN to/from Ipomoea Batatas (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2013.809320
  • 34. Outgoing r'ship FOUND_IN to/from Ipomoea Reptans (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 35. Outgoing r'ship FOUND_IN to/from Jatropha Curcas (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.886965
  • 36. Outgoing r'ship FOUND_IN to/from Juniperus Communis (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1243
  • 37. Outgoing r'ship FOUND_IN to/from Kaempferia Galanga (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2009.10643739
  • 38. Outgoing r'ship FOUND_IN to/from Kyllinga Brevifolia (Plant) Rel Props:Reference:ISBN:9770972795006
  • 39. Outgoing r'ship FOUND_IN to/from Leibnitzia Anandria (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 40. Outgoing r'ship FOUND_IN to/from Mangifera Indica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2010.9700279
  • 41. Outgoing r'ship FOUND_IN to/from Mentha Rotundifolia (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1999.9701121
  • 42. Outgoing r'ship FOUND_IN to/from Mesua Ferrea (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1998.9700955
  • 43. Outgoing r'ship FOUND_IN to/from Microglossa Pyrrhopappa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 44. Outgoing r'ship FOUND_IN to/from Oreoherzogia Fallax (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 45. Outgoing r'ship FOUND_IN to/from Panax Ginseng (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2006.10643501
  • 46. Outgoing r'ship FOUND_IN to/from Panax Pseudo (Plant) Rel Props:Source_db:npass_chem_all
  • 47. Outgoing r'ship FOUND_IN to/from Panax Pseudo-Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 48. Outgoing r'ship FOUND_IN to/from Pelargonium Graveolens (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2006.12067128
  • 49. Outgoing r'ship FOUND_IN to/from Pimenta Dioica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1996.9700628
  • 50. Outgoing r'ship FOUND_IN to/from Piper Taboganum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 51. Outgoing r'ship FOUND_IN to/from Pleiospermium Alatum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2011.9712273
  • 52. Outgoing r'ship FOUND_IN to/from Pogostemon Cablin (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2010.9700346
  • 53. Outgoing r'ship FOUND_IN to/from Polygala Reinii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 54. Outgoing r'ship FOUND_IN to/from Retama Duriaei (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 55. Outgoing r'ship FOUND_IN to/from Rubia Schumanniana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 56. Outgoing r'ship FOUND_IN to/from Sabal Causiarum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 57. Outgoing r'ship FOUND_IN to/from Salvia Virgata (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199901/02)14:1<45::aid-ffj774>3.0.co;2-s
  • 58. Outgoing r'ship FOUND_IN to/from Sarcandra Glabra (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2009.9700114
  • 59. Outgoing r'ship FOUND_IN to/from Senna Alata (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2011.10643995
  • 60. Outgoing r'ship FOUND_IN to/from Senna Hirsuta (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2011.10643995
  • 61. Outgoing r'ship FOUND_IN to/from Senna Occidentalis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2011.10643995
  • 62. Outgoing r'ship FOUND_IN to/from Tagetes Erecta (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1994.9698358
  • 63. Outgoing r'ship FOUND_IN to/from Triumfetta Rhomboidea (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1511
  • 64. Outgoing r'ship FOUND_IN to/from Uvaria Narum (Plant) Rel Props:Reference:ISBN:9788172363093
  • 65. Outgoing r'ship FOUND_IN to/from Xylopia Aethiopica (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2005.10643437
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