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delta-Selinene

PubChem CID: 520383

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Compound Synonyms delta-Selinene, .delta.-Selinene, 473-14-3, 6-Isopropyl-4,8a-dimethyl-1,2,3,7,8,8a-hexahydronaphthalene, delta-Selinen, a beta-cyperene, D-Selinene, a delta-selinene, 28624-23-9, (A+/-)-delta-Selinene, (10xi)-eudesma-4,6-diene, CHEBI:49278, DTXSID00334332, VEGYMPQCXPVQJY-UHFFFAOYSA-N, 4,8a-dimethyl-6-propan-2-yl-2,3,7,8-tetrahydro-1H-naphthalene, Q27121587, 4,8a-dimethyl-6-(propan-2-yl)-1,2,3,7,8,8a-hexahydronaphthalene, 6-Isopropyl-4,8a-dimethyl-1,2,3,7,8,8a-hexahydronaphthalene #, a naphthalene, 2,3,4,4a,5,6-hexahydro-1,4a-dimethyl-7-(1-methylethyl)-, a (4aR)-1,4a-dimethyl-7-(propan-2-yl)-2,3,4,4a,5,6-hexahydronaphthalene
Topological Polar Surface Area 0.0
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 15.0
Description Delta-selinene, also known as δ-selinen, is a member of the class of compounds known as eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids. Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids are sesquiterpenoids with a structure based on the eudesmane skeleton. Delta-selinene can be found in allspice, lovage, and wild celery, which makes delta-selinene a potential biomarker for the consumption of these food products.
Isotope Atom Count 0.0
Molecular Complexity 317.0
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 4,8a-dimethyl-6-propan-2-yl-2,3,7,8-tetrahydro-1H-naphthalene
Prediction Hob 0.0
Class Prenol lipids
Xlogp 4.3
Superclass Lipids and lipid-like molecules
Subclass Sesquiterpenoids
Molecular Formula C15H24
Prediction Swissadme 0.0
Inchi Key VEGYMPQCXPVQJY-UHFFFAOYSA-N
Fcsp3 0.7333333333333333
Logs -4.808
Rotatable Bond Count 1.0
Logd 4.275
Synonyms 6-Isopropyl-4,8a-dimethyl-1,2,3,7,8,8a-hexahydronaphthalene, delta-Selinen, Δ-selinen, Δ-selinene
Compound Name delta-Selinene
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
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aliphatic homopolycyclic compounds
Esol -3.756313399999999
Inchi InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h10-11H,5-9H2,1-4H3
Smiles CC1=C2C=C(CCC2(CCC1)C)C(C)C
Nring 2.0
Defined Bond Stereocenter Count 0.0
Taxonomy Direct Parent Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids

  • 1. Outgoing r'ship FOUND_IN to/from Acorus Calamus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 2. Outgoing r'ship FOUND_IN to/from Apium Graveolens (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all
  • 3. Outgoing r'ship FOUND_IN to/from Atractylodes Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 4. Outgoing r'ship FOUND_IN to/from Atractylodes Lancea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 5. Outgoing r'ship FOUND_IN to/from Atractylodes Macrocephala (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 6. Outgoing r'ship FOUND_IN to/from Chrysanthemum Morifolium (Plant) Rel Props:Source_db:npass_chem_all
  • 7. Outgoing r'ship FOUND_IN to/from Curcuma Kwangsiensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 8. Outgoing r'ship FOUND_IN to/from Curcuma Phaeocaulis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 9. Outgoing r'ship FOUND_IN to/from Curcuma Wenyujin (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 10. Outgoing r'ship FOUND_IN to/from Curcuma Zedoaria (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 11. Outgoing r'ship FOUND_IN to/from Elettaria Cardamomum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 12. Outgoing r'ship FOUND_IN to/from Hansenia Forbesii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 13. Outgoing r'ship FOUND_IN to/from Hansenia Weberbaueriana (Plant) Rel Props:Source_db:cmaup_ingredients
  • 14. Outgoing r'ship FOUND_IN to/from Hypericum Perforatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 15. Outgoing r'ship FOUND_IN to/from Magnolia Obovata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 16. Outgoing r'ship FOUND_IN to/from Magnolia Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 17. Outgoing r'ship FOUND_IN to/from Mosla Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 18. Outgoing r'ship FOUND_IN to/from Ostericum Grosseserratum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 19. Outgoing r'ship FOUND_IN to/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 20. Outgoing r'ship FOUND_IN to/from Piper Nigrum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 21. Outgoing r'ship FOUND_IN to/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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