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beta-SINENSAL

PubChem CID: 5281535

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Compound Synonyms beta-Sinensal, sinensal, 60066-88-8, trans-beta-Sinensal, 3779-62-2, 2,6-Dimethyl-10-methylene-2,6,11-dodecatrienal, 2,6-Dimethyl-10-methylenedodeca-2,6,11-trien-1-al, Sinensal, beta-, UNII-4C2WZT6IRL, beta-Sinensal (natural), 4C2WZT6IRL, beta-Sinensal, (2E,6E)-, (2E,6E)-2,6-dimethyl-10-methylidenedodeca-2,6,11-trienal, FEMA No. 3141, 2,6,11-Dodecatrienal, 2,6-dimethyl-10-methylene-, FEMA No. 3141, (2E,6E)-, EINECS 262-043-3, TJW2V5DYI3, Orange terpenes, 2,6,11-Dodecatrienal, 2,6-dimethyl-10-methylene-, (E,E)-, trans,trans-2,6-Dimethyl-10-methylene-2,6,11-dodecatrienal, 2,6,11-Dodecatrienal, 2,6-dimethyl-10-methylene-, (2E,6E)-, UNII-TJW2V5DYI3, DTXSID0069383, sinensal (beta-), (2E,6E)-beta-sinensal, C09730, SINENSAL, .BETA.-, SCHEMBL231265, TRANS-.BETA.-SINENSAL, DTXCID9042752, CHEBI:10444, FEMA 3141, (2E,6E)-2,6-dimethyl-10-methylene-dodeca-2,6,11-trienal, DTXSID901318720, 8028-48-6, .BETA.-SINENSAL, (2E,6E)-, Q27108641, 2,6-DIMETHYL-10-METHYLENE-2,6,11-DODECATRIENAL [FHFI]
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 17.1
Hydrogen Bond Donor Count 0.0
Pfizer 3 75 Rule False
Np Classifier Class Farnesane sesquiterpenoids
Deep Smiles C=CC=C)CC/C=C/CC/C=C/C=O))C)))))C
Heavy Atom Count 16.0
Classyfire Class Prenol lipids
Classyfire Subclass Sesquiterpenoids
Isotope Atom Count 0.0
Molecular Complexity 305.0
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name (2E,6E)-2,6-dimethyl-10-methylidenedodeca-2,6,11-trienal
Nih Violation True
Prediction Hob 1.0
Class Prenol lipids
Veber Rule True
Classyfire Superclass Lipids and lipid-like molecules
Xlogp 4.8
Superclass Lipids and lipid-like molecules
Is Pains False
Subclass Sesquiterpenoids
Gsk 4 400 Rule False
Molecular Formula C15H22O
Prediction Swissadme 0.0
Inchi Key NOPLRNXKHZRXHT-YFVJMOTDSA-N
Silicos It Class Soluble
Fcsp3 0.4
Logs -4.366
Rotatable Bond Count 8.0
Logd 3.57
Synonyms 2,6-Dimethyl-10-methylene-2,6,11-dodecatrienal, b-Sinensal, Β-sinensal, (2E,6E)-2,6-Dimethyl-10-methylene-2,6,11-dodecatrienal, (e,e)-2,6-Dimethyl-10-methylene-2,6,11-dodecatrienal, Tianchengquan, trans,trans-2,6-Dimethyl-10-methylene-2,6,11-dodecatrienal, trans-Β-sinensal, FEMA 3141, beta-Sinensal, beta-sinensal, β-sinensal, β-sinensals
Esol Class Very soluble
Functional Groups C/C=C(/C)C, C/C=C(C)C=O, C=CC(=C)C
Compound Name beta-SINENSAL
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 218.167
Formal Charge 0.0
Brenk Violation True
Monoisotopic Mass 218.167
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 218.33
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 2.0
Molecular Framework Aliphatic acyclic compounds
Lipinski Rule Of 5 True
Esol -3.702308
Inchi InChI=1S/C15H22O/c1-5-13(2)8-6-9-14(3)10-7-11-15(4)12-16/h5,9,11-12H,1-2,6-8,10H2,3-4H3/b14-9+,15-11+
Smiles C/C(=C\CCC(=C)C=C)/CC/C=C(\C)/C=O
Nring 0.0
Np Classifier Biosynthetic Pathway Terpenoids
Defined Bond Stereocenter Count 2.0
Egan Rule True
Taxonomy Direct Parent Sesquiterpenoids
Np Classifier Superclass Sesquiterpenoids

  • 1. Outgoing r'ship FOUND_IN to/from Acalypha Fruticosa (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644095
  • 2. Outgoing r'ship FOUND_IN to/from Angelica Sinensis (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Aquilaria Sinensis (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Bretschneidera Sinensis (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Camellia Sinensis (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Cephalotaxus Sinensis (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Chaenomeles Sinensis (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Citrus Acida (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Citrus Aurantiifolia (Plant) Rel Props:Reference:
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  • 13. Outgoing r'ship FOUND_IN to/from Citrus Decumana (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Citrus Erythrosa (Plant) Rel Props:Reference:
  • 15. Outgoing r'ship FOUND_IN to/from Citrus Funadoko (Plant) Rel Props:Reference:
  • 16. Outgoing r'ship FOUND_IN to/from Citrus Glauca (Plant) Rel Props:Reference:
  • 17. Outgoing r'ship FOUND_IN to/from Citrus Grandis (Plant) Rel Props:Reference:
  • 18. Outgoing r'ship FOUND_IN to/from Citrus Hassaku (Plant) Rel Props:Reference:
  • 19. Outgoing r'ship FOUND_IN to/from Citrus Hybr (Plant) Rel Props:Reference:
  • 20. Outgoing r'ship FOUND_IN to/from Citrus Hystrix (Plant) Rel Props:Reference:
  • 21. Outgoing r'ship FOUND_IN to/from Citrus Indica (Plant) Rel Props:Reference:
  • 22. Outgoing r'ship FOUND_IN to/from Citrus Jambhiri (Plant) Rel Props:Reference:
  • 23. Outgoing r'ship FOUND_IN to/from Citrus Japonica (Plant) Rel Props:Reference:
  • 24. Outgoing r'ship FOUND_IN to/from Citrus Junos (Plant) Rel Props:Reference:
  • 25. Outgoing r'ship FOUND_IN to/from Citrus Latifolia (Plant) Rel Props:Reference:
  • 26. Outgoing r'ship FOUND_IN to/from Citrus Latipes (Plant) Rel Props:Reference:
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  • 29. Outgoing r'ship FOUND_IN to/from Citrus Maxima (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2011.9700445
  • 30. Outgoing r'ship FOUND_IN to/from Citrus Medica (Plant) Rel Props:Reference:
  • 31. Outgoing r'ship FOUND_IN to/from Citrus Mitis (Plant) Rel Props:Reference:
  • 32. Outgoing r'ship FOUND_IN to/from Citrus Natsudaidai (Plant) Rel Props:Reference:
  • 33. Outgoing r'ship FOUND_IN to/from Citrus Nobilis (Plant) Rel Props:Reference:
  • 34. Outgoing r'ship FOUND_IN to/from Citrus Paradisi (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1119
  • 35. Outgoing r'ship FOUND_IN to/from Citrus Pennivesiculata (Plant) Rel Props:Reference:
  • 36. Outgoing r'ship FOUND_IN to/from Citrus Pseudolimon (Plant) Rel Props:Reference:
  • 37. Outgoing r'ship FOUND_IN to/from Citrus Reshni (Plant) Rel Props:Reference:
  • 38. Outgoing r'ship FOUND_IN to/from Citrus Reticulata (Plant) Rel Props:Reference:
  • 39. Outgoing r'ship FOUND_IN to/from Citrus Rugulosa (Plant) Rel Props:Reference:
  • 40. Outgoing r'ship FOUND_IN to/from Citrus Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 41. Outgoing r'ship FOUND_IN to/from Citrus Sudachii (Plant) Rel Props:Reference:
  • 42. Outgoing r'ship FOUND_IN to/from Citrus Tachibana (Plant) Rel Props:Reference:
  • 43. Outgoing r'ship FOUND_IN to/from Citrus Tamurana (Plant) Rel Props:Reference:
  • 44. Outgoing r'ship FOUND_IN to/from Citrus Tangemna (Plant) Rel Props:Reference:
  • 45. Outgoing r'ship FOUND_IN to/from Citrus Tangerina (Plant) Rel Props:Reference:
  • 46. Outgoing r'ship FOUND_IN to/from Citrus Tankan (Plant) Rel Props:Reference:
  • 47. Outgoing r'ship FOUND_IN to/from Citrus Trifoliata (Plant) Rel Props:Reference:
  • 48. Outgoing r'ship FOUND_IN to/from Citrus Unshiu (Plant) Rel Props:Reference:
  • 49. Outgoing r'ship FOUND_IN to/from Citrus Wilsonii (Plant) Rel Props:Reference:
  • 50. Outgoing r'ship FOUND_IN to/from Citrus X (Plant) Rel Props:Reference:
  • 51. Outgoing r'ship FOUND_IN to/from Citrus Yuko (Plant) Rel Props:Reference:
  • 52. Outgoing r'ship FOUND_IN to/from Cordia Sinensis (Plant) Rel Props:Reference:
  • 53. Outgoing r'ship FOUND_IN to/from Cordyceps Sinensis (Plant) Rel Props:Reference:
  • 54. Outgoing r'ship FOUND_IN to/from Coriandrum Sativum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2007.10643580
  • 55. Outgoing r'ship FOUND_IN to/from Cryptolepis Sinensis (Plant) Rel Props:Reference:
  • 56. Outgoing r'ship FOUND_IN to/from Diphylleia Sinensis (Plant) Rel Props:Reference:
  • 57. Outgoing r'ship FOUND_IN to/from Dolichos Sinensis (Plant) Rel Props:Reference:
  • 58. Outgoing r'ship FOUND_IN to/from Foeniculum Vulgare (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2007.10643580
  • 59. Outgoing r'ship FOUND_IN to/from Gleditsia Sinensis (Plant) Rel Props:Reference:
  • 60. Outgoing r'ship FOUND_IN to/from Incarvillea Sinensis (Plant) Rel Props:Reference:
  • 61. Outgoing r'ship FOUND_IN to/from Inula Cappa (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2015.1090935
  • 62. Outgoing r'ship FOUND_IN to/from Juglans Sinensis (Plant) Rel Props:Reference:
  • 63. Outgoing r'ship FOUND_IN to/from Kaempferia Galanga (Plant) Rel Props:Reference:ISBN:9770972795006
  • 64. Outgoing r'ship FOUND_IN to/from Macaranga Sinensis (Plant) Rel Props:Reference:
  • 65. Outgoing r'ship FOUND_IN to/from Miliusa Sinensis (Plant) Rel Props:Reference:
  • 66. Outgoing r'ship FOUND_IN to/from Miscanthus Sinensis (Plant) Rel Props:Reference:
  • 67. Outgoing r'ship FOUND_IN to/from Neottia Sinensis (Plant) Rel Props:Reference:
  • 68. Outgoing r'ship FOUND_IN to/from Nyssa Sinensis (Plant) Rel Props:Reference:
  • 69. Outgoing r'ship FOUND_IN to/from Ocimum Basilicum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2014.889048
  • 70. Outgoing r'ship FOUND_IN to/from Pistacia Lentiscus (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2006.9699105
  • 71. Outgoing r'ship FOUND_IN to/from Pseudotsuga Sinensis (Plant) Rel Props:Reference:
  • 72. Outgoing r'ship FOUND_IN to/from Rosmarinus Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2007.10643580
  • 73. Outgoing r'ship FOUND_IN to/from Saccharum Sinensis (Plant) Rel Props:Reference:
  • 74. Outgoing r'ship FOUND_IN to/from Scopolia Sinensis (Plant) Rel Props:Reference:
  • 75. Outgoing r'ship FOUND_IN to/from Selaginella Sinensis (Plant) Rel Props:Reference:
  • 76. Outgoing r'ship FOUND_IN to/from Spiranthes Sinensis (Plant) Rel Props:Reference:
  • 77. Outgoing r'ship FOUND_IN to/from Tinospora Sinensis (Plant) Rel Props:Reference:
  • 78. Outgoing r'ship FOUND_IN to/from Toona Sinensis (Plant) Rel Props:Reference:
  • 79. Outgoing r'ship FOUND_IN to/from Uncaria Sinensis (Plant) Rel Props:Reference:
  • 80. Outgoing r'ship FOUND_IN to/from Wisteria Sinensis (Plant) Rel Props:Reference:
  • 81. Outgoing r'ship FOUND_IN to/from Zingiber Zerumbet (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2016.1261051
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