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Gamma-Nonalactone

PubChem CID: 7710

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Compound Synonyms 104-61-0, Gamma-nonalactone, gamma-Nonanolactone, 5-pentyldihydrofuran-2(3H)-one, 5-pentyloxolan-2-one, 2(3H)-Furanone, dihydro-5-pentyl-, Prunolide, gamma-Nonanolide, Cocos aldehyde, Nonan-1,4-olide, Coconut aldehyde, 1,4-Nonalolide, apricolin, 4-Pentyl-butanolide, Aldehyde C-18, 4-Nonalactone, 4-Nonanolide, gamma-Nonylactone, gamma-Nonyllactone, Nonan-4-olide, FEMA No. 2781, gamma-Pelargolactone, DIHYDRO-5-PENTYL-2(3H)-FURANONE, 1,4-Nonyl lactone, gamma-Nonanoic lactone, delta-n-Amylbutyrolactone, FEMA Number 2781, gamma-N-Amylbutyrolactone, .gamma.-Nonalactone, gamma-Amyl-gamma-butyrolactone, rac-gamma-Nonanolactone, gamma-Pentyl-gamma-butyrolactone, HSDB 5360, UNII-I1XGH66S8P, EINECS 203-219-1, I1XGH66S8P, 4-Amyl-4-hydroxybutyric acid lactone, 4-Hydroxynonanoic acid, gamma-lactone, DTXSID0034229, NONYL LACTONE, Nonanoic acid, 4-hydroxy-, gamma-lactone, AI3-02457, Dihydro-5-pentylfuran-2(3H)-one, MFCD00005403, NSC 24253, NSC 46099, NSC-24253, NSC-46099, .gamma.-n-Amylbutyrolactone, 4-Hydroxynonanoic acid, .gamma.-lactone, g-Nonanolactone, 4-Hydroxynonanoic acid lactone, CHEMBL191935, GAMMA-NONALACTONE [FCC], DTXCID8014229, 5-Pentyldihydro-2(3H)-furanone, EC 203-219-1, .GAMMA.-NONALACTONE [FHFI], DELTA-N-AMYLBUTYROLACTONE [HSDB], 82373-92-0, gammaNonanolide, 4nonanolide, gammaNonylactone, 4Nonalactone, gammaNonyllactone, ?-Nonalactone, 4Pentylbutanolide, gammaNonanolactone, gammaPelargolactone, 1,4Nonalolide, Nonan1,4olide, 4-Pentylbutanolide, 1,4Nonyl lactone, Aldehyde C18, .gamma.-Nonalacton, .gamma.-Nonanolide, 4-Hydroxynonanoic acid gamma-lactone, gamma-Pelargonolactone, .gamma.-Nonanolactone, gammanAmylbutyrolactone, gamma-Amylbutyrolactone, gamma -Nonanoic lactone, (r/s)-gamma-nonalactone, .gamma.-Amylbutyrolactone, .gamma.-Nonanoic lactone, gammaAmylgammabutyrolactone, 5-Pentyl-.gamma.-lactone, gammaPentylgammabutyrolactone, Dihydro5pentyl2(3H)furanone, gamma-Nonanoic lactone, 97%, SCHEMBL112484, 5-Pentyl-dihydro-furan-2-one, 2(3H)Furanone, dihydro5pentyl, GAMMA-NONALACTONE [INCI], 5-pentyl-tetrahydro-furan-2-one, OALYTRUKMRCXNH-UHFFFAOYSA-, (.+/-.)-.gamma.-Nonalactone, 4Amyl4hydroxybutyric acid lactone, Dihydro-5-pentyl-2(3H)-furanon, 4Hydroxynonanoic acid, gammalactone, .gamma.-Amyl-.gamma.-butyrolactone, NSC24253, NSC46099, (3H)-Dihydro-5-pentyl-2-furanone, 5-Pentyldihydro-2(3H)-furanone #, Tox21_301039, BBL027520, BDBM50167995, LMFA07040021, MSK010002, STL373781, Nonanoic acid, 4hydroxy, gammalactone, AKOS015904806, CS-W017997, DS-3247, FN05789, gamma-NONALACTONE (ALDEHYDE C-18), NCGC00164129-01, NCGC00164129-02, NCGC00254941-01, CAS-104-61-0, 1ST010002, gamma-Nonanoic lactone, >=98%, FCC, FG, gamma-Nonanoic lactone, natural, 98%, FG, N0285, Nonanoic acid, 4-hydroxy-, .gamma.-lactone, NS00076561, D70273, EN300-342288, gamma-Nonalactone, analytical reference material, Q11255995, Flavor and Extract Manufacturers' Association No. 2781, Z1255430984, InChI=1/C9H16O2/c1-2-3-4-5-8-6-7-9(10)11-8/h8H,2-7H2,1H3, 57084-16-9
Ghose Rule False
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 26.3
Hydrogen Bond Donor Count 0.0
Pfizer 3 75 Rule False
Scaffold Graph Level CC1CCCC1
Np Classifier Class Lactones
Deep Smiles CCCCCCCCC=O)O5
Heavy Atom Count 11.0
Classyfire Class Lactones
Description Flavouring ingredient. It is used in coconut flavours.
Scaffold Graph Node Level OC1CCCO1
Classyfire Subclass Gamma butyrolactones
Isotope Atom Count 0.0
Molecular Complexity 132.0
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id O00204, P22309, P05177, P10828, Q16236
Iupac Name 5-pentyloxolan-2-one
Prediction Hob 1.0
Class Lactones
Veber Rule True
Classyfire Superclass Organoheterocyclic compounds
Target Id NPT208
Xlogp 2.2
Superclass Organoheterocyclic compounds
Subclass Gamma butyrolactones
Gsk 4 400 Rule True
Molecular Formula C9H16O2
Scaffold Graph Node Bond Level O=C1CCCO1
Prediction Swissadme 1.0
Inchi Key OALYTRUKMRCXNH-UHFFFAOYSA-N
Silicos It Class Soluble
Fcsp3 0.8888888888888888
Logs -2.581
Rotatable Bond Count 4.0
State Solid
Logd 2.322
Synonyms g-Nonanolide, Γ-nonanolide, dihydro-5-pentyl-2(3h)-furanone (γ-nonalactone), gamma nonalactone, gamma-nonalactone, nonalactone, gamma, γ-nonalactone
Esol Class Very soluble
Functional Groups COC(C)=O
Compound Name Gamma-Nonalactone
Kingdom Organic compounds
Prediction Hob Swissadme 1.0
Exact Mass 156.115
Formal Charge 0.0
Monoisotopic Mass 156.115
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 156.22
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aliphatic heteromonocyclic compounds
Lipinski Rule Of 5 True
Esol -1.9179950000000001
Inchi InChI=1S/C9H16O2/c1-2-3-4-5-8-6-7-9(10)11-8/h8H,2-7H2,1H3
Smiles CCCCCC1CCC(=O)O1
Nring 1.0
Np Classifier Biosynthetic Pathway Fatty acids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Taxonomy Direct Parent Gamma butyrolactones
Np Classifier Superclass Fatty esters

  • 1. Outgoing r'ship FOUND_IN to/from Achillea Millefolium (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2016.1150216
  • 2. Outgoing r'ship FOUND_IN to/from Actaea Cimicifuga (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 3. Outgoing r'ship FOUND_IN to/from Actaea Dahurica (Plant) Rel Props:Source_db:cmaup_ingredients
  • 4. Outgoing r'ship FOUND_IN to/from Actaea Simplex (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 5. Outgoing r'ship FOUND_IN to/from Akebia Quinata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 6. Outgoing r'ship FOUND_IN to/from Akebia Trifoliata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 7. Outgoing r'ship FOUND_IN to/from Alstonia Scholaris (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2001.9699714
  • 8. Outgoing r'ship FOUND_IN to/from Ananas Comosus (Plant) Rel Props:Reference:ISBN:9780896038776
  • 9. Outgoing r'ship FOUND_IN to/from Angelica Acutiloba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 10. Outgoing r'ship FOUND_IN to/from Angelica Gigas (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 11. Outgoing r'ship FOUND_IN to/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 12. Outgoing r'ship FOUND_IN to/from Arnica Montana (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2016.1150216
  • 13. Outgoing r'ship FOUND_IN to/from Artemisia Absinthium (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2016.1150216
  • 14. Outgoing r'ship FOUND_IN to/from Artemisia Annua (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2016.1150216
  • 15. Outgoing r'ship FOUND_IN to/from Artemisia Vulgaris (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730060403
  • 16. Outgoing r'ship FOUND_IN to/from Brassica Oleracea (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1530
  • 17. Outgoing r'ship FOUND_IN to/from Carica Papaya (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1248
  • 18. Outgoing r'ship FOUND_IN to/from Carpesium Abrotanoides (Plant) Rel Props:Reference:ISBN:9788172362089
  • 19. Outgoing r'ship FOUND_IN to/from Cirsium Japonicum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2005.9698816
  • 20. Outgoing r'ship FOUND_IN to/from Citrullus Lanatus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 21. Outgoing r'ship FOUND_IN to/from Cocos Nucifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 22. Outgoing r'ship FOUND_IN to/from Cynanchum Stauntoni (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 23. Outgoing r'ship FOUND_IN to/from Equisetum Palustre (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2008.9700020
  • 24. Outgoing r'ship FOUND_IN to/from Garcinia Dulcis (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1187
  • 25. Outgoing r'ship FOUND_IN to/from Glycyrrhiza Glabra (Plant) Rel Props:Reference:ISBN:9780896038776
  • 26. Outgoing r'ship FOUND_IN to/from Hedychium Coronarium (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730060310
  • 27. Outgoing r'ship FOUND_IN to/from Hierochloe Odorata (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730060108
  • 28. Outgoing r'ship FOUND_IN to/from Litchi Chinensis (Plant) Rel Props:Reference:ISBN:9770972795006
  • 29. Outgoing r'ship FOUND_IN to/from Magnolia Obovata (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1994.9699345
  • 30. Outgoing r'ship FOUND_IN to/from Mangifera Indica (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1812
  • 31. Outgoing r'ship FOUND_IN to/from Nigella Sativa (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1773
  • 32. Outgoing r'ship FOUND_IN to/from Polygala Senega (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730100408
  • 33. Outgoing r'ship FOUND_IN to/from Prunus Persica (Plant) Rel Props:Reference:ISBN:9788185042084
  • 34. Outgoing r'ship FOUND_IN to/from Vincetoxicum Glaucescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 35. Outgoing r'ship FOUND_IN to/from Vincetoxicum Stauntonii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 36. Outgoing r'ship FOUND_IN to/from Viscum Album (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1996.9701029
  • 37. Outgoing r'ship FOUND_IN to/from Zanthoxylum Rhetsa (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2000.9699492
  • 38. Outgoing r'ship FOUND_IN to/from Ziziphus Jujuba (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1996.9700625
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