This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration. This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration.

Sesquisabinene

PubChem CID: 25202482

Connections displayed (default: 10).
Loading graph...

ℹ️ Click here to know more about the properties
Compound Synonyms sesquisabinene, Sesquisabinene isomer, 1-(1,5-Dimethyl-4-hexenyl)-4-methylenebicyclo[3.1.0]hexane, DYUSFBWNOCHOFP-UHFFFAOYSA-N, DTXSID101018186, DB-258550, 1-(1,5-Dimethyl-4-hexenyl)-4-methylenebicyclo[3.1.0]hexane, 9CI, 1-(6-methylhept-5-en-2-yl)-4-methylidenebicyclo[3.1.0]hexane, (1R,5R)-4-Methylene-1-((R)-6-methylhept-5-en-2-yl)bicyclo[3.1.0]hexane, (relative configuration)
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 CC1CCC2CC12
Np Classifier Class Cyclobisabolane sesquiterpenoids
Deep Smiles CC=CCCCCCCC=C)C5C6))))))C)))))C
Heavy Atom Count 15.0
Classyfire Class Prenol lipids
Description Constituent of Piper nigrum (pepper). Sesquisabinene is found in herbs and spices and pepper (spice).
Scaffold Graph Node Level CC1CCC2CC12
Classyfire Subclass Sesquiterpenoids
Isotope Atom Count 0.0
Molecular Complexity 293.0
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 1-(6-methylhept-5-en-2-yl)-4-methylidenebicyclo[3.1.0]hexane
Prediction Hob 1.0
Class Prenol lipids
Veber Rule True
Classyfire Superclass Lipids and lipid-like molecules
Xlogp 5.1
Superclass Lipids and lipid-like molecules
Subclass Sesquiterpenoids
Gsk 4 400 Rule False
Molecular Formula C15H24
Scaffold Graph Node Bond Level C=C1CCC2CC12
Prediction Swissadme 0.0
Inchi Key DYUSFBWNOCHOFP-UHFFFAOYSA-N
Silicos It Class Soluble
Fcsp3 0.7333333333333333
Logs -5.449
Rotatable Bond Count 4.0
Logd 4.509
Synonyms 1-(1,5-Dimethyl-4-hexenyl)-4-methylenebicyclo[3.1.0]hexane, 9CI, 1-(1,5-Dimethyl-4-hexenyl)-4-methylenebicyclo[3.1.0]hexane, 9ci, sesquisabinene
Esol Class Moderately soluble
Functional Groups C=C(C)C, CC=C(C)C
Compound Name Sesquisabinene
Kingdom Organic compounds
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
Molecular Framework Aliphatic homopolycyclic compounds
Lipinski Rule Of 5 True
Esol -4.024513399999999
Inchi InChI=1S/C15H24/c1-11(2)6-5-7-13(4)15-9-8-12(3)14(15)10-15/h6,13-14H,3,5,7-10H2,1-2,4H3
Smiles CC(CCC=C(C)C)C12CCC(=C)C1C2
Nring 2.0
Np Classifier Biosynthetic Pathway Terpenoids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Taxonomy Direct Parent Sesquiterpenoids
Np Classifier Superclass Sesquiterpenoids

  • 1. Outgoing r'ship FOUND_IN to/from Ageratina Adenophora (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199711/12)12:6<387::aid-ffj677>3.0.co;2-f
  • 2. Outgoing r'ship FOUND_IN to/from Alpinia Galanga (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2012.751058
  • 3. Outgoing r'ship FOUND_IN to/from Anisomeles Indica (Plant) Rel Props:Reference:https://doi.org/10.20959/wjpr20165-609
  • 4. Outgoing r'ship FOUND_IN to/from Annona Reticulata (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2006.9699117
  • 5. Outgoing r'ship FOUND_IN to/from Aristolochia Longa (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Curcuma Aeruginosa (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Curcuma Amada (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Curcuma Angustifolia (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Curcuma Aromatica (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Curcuma Caesia (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Curcuma Domestica (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Curcuma Heyneana (Plant) Rel Props:Reference:
  • 13. Outgoing r'ship FOUND_IN to/from Curcuma Inodora (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Curcuma Kwangsiensis (Plant) Rel Props:Reference:
  • 15. Outgoing r'ship FOUND_IN to/from Curcuma Longa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 16. Outgoing r'ship FOUND_IN to/from Curcuma Mangga (Plant) Rel Props:Reference:
  • 17. Outgoing r'ship FOUND_IN to/from Curcuma Montana (Plant) Rel Props:Reference:
  • 18. Outgoing r'ship FOUND_IN to/from Curcuma Petiolata (Plant) Rel Props:Reference:
  • 19. Outgoing r'ship FOUND_IN to/from Curcuma Phaeocaulis (Plant) Rel Props:Reference:
  • 20. Outgoing r'ship FOUND_IN to/from Curcuma Pseudomontana (Plant) Rel Props:Reference:
  • 21. Outgoing r'ship FOUND_IN to/from Curcuma Rubescens (Plant) Rel Props:Reference:
  • 22. Outgoing r'ship FOUND_IN to/from Curcuma Wenyujin (Plant) Rel Props:Reference:
  • 23. Outgoing r'ship FOUND_IN to/from Curcuma Xanthorrhiza (Plant) Rel Props:Reference:
  • 24. Outgoing r'ship FOUND_IN to/from Curcuma Zanthorrhiza (Plant) Rel Props:Reference:
  • 25. Outgoing r'ship FOUND_IN to/from Curcuma Zedoaria (Plant) Rel Props:Reference:
  • 26. Outgoing r'ship FOUND_IN to/from Curcuma Zerumbet (Plant) Rel Props:Reference:
  • 27. Outgoing r'ship FOUND_IN to/from Empetrum Nigrum (Plant) Rel Props:Reference:
  • 28. Outgoing r'ship FOUND_IN to/from Hedychium Coronarium (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2011.9700460
  • 29. Outgoing r'ship FOUND_IN to/from Laggera Alata (Plant) Rel Props:Reference:
  • 30. Outgoing r'ship FOUND_IN to/from Laggera Aurita (Plant) Rel Props:Reference:
  • 31. Outgoing r'ship FOUND_IN to/from Laggera Crispata (Plant) Rel Props:Reference:
  • 32. Outgoing r'ship FOUND_IN to/from Laggera Flava (Plant) Rel Props:Reference:
  • 33. Outgoing r'ship FOUND_IN to/from Laggera Pterodonta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 34. Outgoing r'ship FOUND_IN to/from Lantana Camara (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199907/08)14:4<245::aid-ffj819>3.0.co;2-x
  • 35. Outgoing r'ship FOUND_IN to/from Murraya Paniculata (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1365
  • 36. Outgoing r'ship FOUND_IN to/from Ocimum Americanum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2017.1371087
  • 37. Outgoing r'ship FOUND_IN to/from Ocimum Basilicum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2017.1371087
  • 38. Outgoing r'ship FOUND_IN to/from Ocimum Gratissimum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2017.1371087
  • 39. Outgoing r'ship FOUND_IN to/from Ocimum Tenuiflorum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2017.1371087
  • 40. Outgoing r'ship FOUND_IN to/from Origanum Majorana (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2016.1264276
  • 41. Outgoing r'ship FOUND_IN to/from Piper Acutifolium (Plant) Rel Props:Reference:
  • 42. Outgoing r'ship FOUND_IN to/from Piper Aduncum (Plant) Rel Props:Reference:
  • 43. Outgoing r'ship FOUND_IN to/from Piper Aequale (Plant) Rel Props:Reference:
  • 44. Outgoing r'ship FOUND_IN to/from Piper Angustifolium (Plant) Rel Props:Reference:
  • 45. Outgoing r'ship FOUND_IN to/from Piper Arboreum (Plant) Rel Props:Reference:
  • 46. Outgoing r'ship FOUND_IN to/from Piper Argyrophyllum (Plant) Rel Props:Reference:
  • 47. Outgoing r'ship FOUND_IN to/from Piper Attenuatum (Plant) Rel Props:Reference:
  • 48. Outgoing r'ship FOUND_IN to/from Piper Baccatum (Plant) Rel Props:Reference:
  • 49. Outgoing r'ship FOUND_IN to/from Piper Bachystachyum (Plant) Rel Props:Reference:
  • 50. Outgoing r'ship FOUND_IN to/from Piper Banksii (Plant) Rel Props:Reference:
  • 51. Outgoing r'ship FOUND_IN to/from Piper Bantamense (Plant) Rel Props:Reference:
  • 52. Outgoing r'ship FOUND_IN to/from Piper Barberi (Plant) Rel Props:Reference:
  • 53. Outgoing r'ship FOUND_IN to/from Piper Bavinum (Plant) Rel Props:Reference:
  • 54. Outgoing r'ship FOUND_IN to/from Piper Betel (Plant) Rel Props:Reference:
  • 55. Outgoing r'ship FOUND_IN to/from Piper Betle (Plant) Rel Props:Reference:
  • 56. Outgoing r'ship FOUND_IN to/from Piper Betleoides (Plant) Rel Props:Reference:
  • 57. Outgoing r'ship FOUND_IN to/from Piper Boehmeriaefolium (Plant) Rel Props:Reference:
  • 58. Outgoing r'ship FOUND_IN to/from Piper Brachystachyum (Plant) Rel Props:Reference:
  • 59. Outgoing r'ship FOUND_IN to/from Piper Callosum (Plant) Rel Props:Reference:
  • 60. Outgoing r'ship FOUND_IN to/from Piper Caninum (Plant) Rel Props:Reference:
  • 61. Outgoing r'ship FOUND_IN to/from Piper Chaba (Plant) Rel Props:Reference:
  • 62. Outgoing r'ship FOUND_IN to/from Piper Crassinervium (Plant) Rel Props:Reference:
  • 63. Outgoing r'ship FOUND_IN to/from Piper Cubeba (Plant) Rel Props:Reference:
  • 64. Outgoing r'ship FOUND_IN to/from Piper Diffusum (Plant) Rel Props:Reference:
  • 65. Outgoing r'ship FOUND_IN to/from Piper Dilatatum (Plant) Rel Props:Reference:
  • 66. Outgoing r'ship FOUND_IN to/from Piper Divaricatum (Plant) Rel Props:Reference:
  • 67. Outgoing r'ship FOUND_IN to/from Piper Elongatum (Plant) Rel Props:Reference:
  • 68. Outgoing r'ship FOUND_IN to/from Piper Futokadsura (Plant) Rel Props:Reference:
  • 69. Outgoing r'ship FOUND_IN to/from Piper Griffthii (Plant) Rel Props:Reference:
  • 70. Outgoing r'ship FOUND_IN to/from Piper Guineense (Plant) Rel Props:Reference:
  • 71. Outgoing r'ship FOUND_IN to/from Piper Hamiltonii (Plant) Rel Props:Reference:
  • 72. Outgoing r'ship FOUND_IN to/from Piper Hancei (Plant) Rel Props:Reference:
  • 73. Outgoing r'ship FOUND_IN to/from Piper Hispidum (Plant) Rel Props:Reference:
  • 74. Outgoing r'ship FOUND_IN to/from Piper Hookeri (Plant) Rel Props:Reference:
  • 75. Outgoing r'ship FOUND_IN to/from Piper Hostmannianum (Plant) Rel Props:Reference:
  • 76. Outgoing r'ship FOUND_IN to/from Piper Kadsura (Plant) Rel Props:Reference:
  • 77. Outgoing r'ship FOUND_IN to/from Piper Lanceifolium (Plant) Rel Props:Reference:
  • 78. Outgoing r'ship FOUND_IN to/from Piper Longum (Plant) Rel Props:Reference:
  • 79. Outgoing r'ship FOUND_IN to/from Piper Marginatum (Plant) Rel Props:Reference:
  • 80. Outgoing r'ship FOUND_IN to/from Piper Methysticum (Plant) Rel Props:Reference:
  • 81. Outgoing r'ship FOUND_IN to/from Piper Mullesua (Plant) Rel Props:Reference:
  • 82. Outgoing r'ship FOUND_IN to/from Piper Nepalens (Plant) Rel Props:Reference:
  • 83. Outgoing r'ship FOUND_IN to/from Piper Nigrum (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all
  • 84. Outgoing r'ship FOUND_IN to/from Piper Officinarum (Plant) Rel Props:Reference:
  • 85. Outgoing r'ship FOUND_IN to/from Piper Pedicellatum (Plant) Rel Props:Reference:
  • 86. Outgoing r'ship FOUND_IN to/from Piper Pedicellosum (Plant) Rel Props:Reference:
  • 87. Outgoing r'ship FOUND_IN to/from Piper Peepuloides (Plant) Rel Props:Reference:
  • 88. Outgoing r'ship FOUND_IN to/from Piper Polysyphorum (Plant) Rel Props:Reference:
  • 89. Outgoing r'ship FOUND_IN to/from Piper Puberulum (Plant) Rel Props:Reference:
  • 90. Outgoing r'ship FOUND_IN to/from Piper Regnellii (Plant) Rel Props:Reference:
  • 91. Outgoing r'ship FOUND_IN to/from Piper Retrofractum (Plant) Rel Props:Reference:
  • 92. Outgoing r'ship FOUND_IN to/from Piper Sanctum (Plant) Rel Props:Reference:
  • 93. Outgoing r'ship FOUND_IN to/from Piper Sarmentosum (Plant) Rel Props:Reference:
  • 94. Outgoing r'ship FOUND_IN to/from Piper Schmidtii (Plant) Rel Props:Reference:
  • 95. Outgoing r'ship FOUND_IN to/from Piper Spp (Plant) Rel Props:Reference:
  • 96. Outgoing r'ship FOUND_IN to/from Piper Sulvaticum (Plant) Rel Props:Reference:
  • 97. Outgoing r'ship FOUND_IN to/from Piper Sylvaticum (Plant) Rel Props:Reference:
  • 98. Outgoing r'ship FOUND_IN to/from Piper Taboganum (Plant) Rel Props:Reference:
  • 99. Outgoing r'ship FOUND_IN to/from Piper Taiwanense (Plant) Rel Props:Reference:
  • 100. Outgoing r'ship FOUND_IN to/from Piper Thomsonii (Plant) Rel Props:Reference:
  • 101. Outgoing r'ship FOUND_IN to/from Piper Trichostachyon (Plant) Rel Props:Reference:
  • 102. Outgoing r'ship FOUND_IN to/from Piper Trioicum (Plant) Rel Props:Reference:
  • 103. Outgoing r'ship FOUND_IN to/from Piper Tuberculatum (Plant) Rel Props:Reference:
  • 104. Outgoing r'ship FOUND_IN to/from Piper Umbellatum (Plant) Rel Props:Reference:
  • 105. Outgoing r'ship FOUND_IN to/from Piper Wallichii (Plant) Rel Props:Reference:
  • 106. Outgoing r'ship FOUND_IN to/from Piper Wightii (Plant) Rel Props:Reference:
  • 107. Outgoing r'ship FOUND_IN to/from Ribes Nigrum (Plant) Rel Props:Reference:
  • 108. Outgoing r'ship FOUND_IN to/from Salvia Hians (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2011.10643987
  • 109. Outgoing r'ship FOUND_IN to/from Santalum Album (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2003.9712064
  • 110. Outgoing r'ship FOUND_IN to/from Solanum Nigrum (Plant) Rel Props:Reference:
  • 111. Outgoing r'ship FOUND_IN to/from Stephania Longa (Plant) Rel Props:Reference:
  • 112. Outgoing r'ship FOUND_IN to/from Veratrum Nigrum (Plant) Rel Props:Reference:
  • 113. Outgoing r'ship FOUND_IN to/from Zingiber Officinale (Plant) Rel Props:Reference:ISBN:9788172362140
Back to Browse   Back to Home