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Nerolidol, (6Z)-(+)-

PubChem CID: 5356544

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Compound Synonyms d-Nerolidol, 142-50-7, Peruviol, (+)-Nerolidol, (3S,6Z)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol, (s)-nerolidol, Nerolidol, (6Z)-(+)-, (S)-cis-Nerolidol, 89V5Z0JC8J, 1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, (3S,6Z)-, (Z)-Nerolidol, NSC-60598, NSC60598, NSC406963, UNII-89V5Z0JC8J, 1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, EINECS 205-540-2, NSC 60598, NSC 406963, Nerolidol (VAN), Nerolidol, cis-(+)-, 1,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, [S-(Z)]-, Nerolidiol, 1,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, (Z)-(S)-(+)-, MFCD00085350, (+)-cis-Nerolidol, (3S,6Z)-nerolidol, (6Z)-(+)-nerolidol, (6Z)-3,7,11-Trimethyl-1,6,10-dodecatrien-3-ol, CHEMBL561014, SCHEMBL6514677, DTXSID4047048, CHEBI:176337, FQTLCLSUCSAZDY-QKXCFHHRSA-N, NSC-406963, NS00079240, Q27270067, (3S,6Z)-3,7,11-trimethyl-1,6,10-dodecatrien-3-ol, (Z)-(S)-(+)-3,7,11-trimethyl-1,6,10-Dodecatrien-3-ol, 3,7,11-Trimethyl-(3S,6Z)-(+)-1,6,10-Dodecatrien-3-ol, 3,7,11-Trimethyl-(Z)-(S)-(+)-1,6,10-Dodecatrien-3-ol, 1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, (3S,6Z)-(+)-
Topological Polar Surface Area 20.2
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 16.0
Description (s)-nerolidol, also known as (6z)-3,7,11-trimethyl-1,6,10-dodecatrien-3-ol or nerolidol, (E)-isomer, is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units (s)-nerolidol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). (s)-nerolidol is a mild, floral, and wax tasting compound found in ginger, hyssop, and pepper (spice), which makes (s)-nerolidol a potential biomarker for the consumption of these food products.
Isotope Atom Count 0.0
Molecular Complexity 269.0
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count 1.0
Iupac Name (3S,6Z)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol
Prediction Hob 1.0
Class Prenol lipids
Xlogp 4.6
Superclass Lipids and lipid-like molecules
Subclass Sesquiterpenoids
Molecular Formula C15H26O
Prediction Swissadme 1.0
Inchi Key FQTLCLSUCSAZDY-QKXCFHHRSA-N
Fcsp3 0.6
Logs -3.929
Rotatable Bond Count 7.0
Logd 3.713
Synonyms (3S,6Z)-3,7,11-Trimethyl-1,6,10-dodecatrien-3-ol, (S)-cis-Nerolidol, (+)-cis-Nerolidol, (+)-Nerolidol, (6Z)-3,7,11-Trimethyl-1,6,10-dodecatrien-3-ol, (Z)-(S)-(+)-3,7,11-Trimethyl-1,6,10-dodecatrien-3-ol, (Z)-Nerolidol, 3,7,11-Trimethyl-(3S,6Z)-(+)-1,6,10-dodecatrien-3-ol, 3,7,11-Trimethyl-(Z)-(S)-(+)-1,6,10-dodecatrien-3-ol, D-Nerolidol, 3,7,11-Trimethyl-1,6,10-dodecatrien-3-ol, Nerolidol, (Z)-isomer, Nerolidol, (S-(Z))-isomer, Nerolidol, Nerolidol, (e)-isomer, Nerolidol, (S-(e))-isomer, Peruviol, [S-(Z)]-3,7,11-Trimethyl-1,6,10-dodecatrien-3-ol, folic alcohol, cis-(+)-Nerolidol, (3S,6Z)-Nerolidol, (±)-Nerolidol, Nerodilol
Compound Name Nerolidol, (6Z)-(+)-
Kingdom Organic compounds
Prediction Hob Swissadme 1.0
Exact Mass 222.198
Formal Charge 0.0
Monoisotopic Mass 222.198
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 222.37
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 1.0
Molecular Framework Aliphatic acyclic compounds
Esol -3.7996063999999996
Inchi InChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3/b14-11-/t15-/m1/s1
Smiles CC(=CCC/C(=C\CC[C@@](C)(C=C)O)/C)C
Nring 0.0
Defined Bond Stereocenter Count 1.0
Taxonomy Direct Parent 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 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 Amomum Compactum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 6. Outgoing r'ship FOUND_IN to/from Amomum Krervanh (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 7. Outgoing r'ship FOUND_IN to/from Angelica Acutiloba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 8. Outgoing r'ship FOUND_IN to/from Angelica Gigas (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 9. Outgoing r'ship FOUND_IN to/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 10. Outgoing r'ship FOUND_IN to/from Artemisia Argyi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 11. Outgoing r'ship FOUND_IN to/from Artemisia Capillaris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 12. Outgoing r'ship FOUND_IN to/from Artemisia Montana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 13. Outgoing r'ship FOUND_IN to/from Artemisia Princeps (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 14. Outgoing r'ship FOUND_IN to/from Bupleurum Chinense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 15. Outgoing r'ship FOUND_IN to/from Bupleurum Falcatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 16. Outgoing r'ship FOUND_IN to/from Bupleurum Scorzonerifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 17. Outgoing r'ship FOUND_IN to/from Capsicum Annuum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 18. Outgoing r'ship FOUND_IN to/from Chrysanthemum Zawadskii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 19. Outgoing r'ship FOUND_IN to/from Cinnamomum Aromaticum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 20. Outgoing r'ship FOUND_IN to/from Cinnamomum Cassia (Plant) Rel Props:Source_db:npass_chem_all
  • 21. Outgoing r'ship FOUND_IN to/from Citrus Aurantium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 22. Outgoing r'ship FOUND_IN to/from Curcuma Kwangsiensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 23. Outgoing r'ship FOUND_IN to/from Curcuma Longa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 24. Outgoing r'ship FOUND_IN to/from Curcuma Phaeocaulis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 25. Outgoing r'ship FOUND_IN to/from Curcuma Wenyujin (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 26. Outgoing r'ship FOUND_IN to/from Dalbergia Odorifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 27. Outgoing r'ship FOUND_IN to/from Elettaria Cardamomum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 28. Outgoing r'ship FOUND_IN to/from Elsholtzia Ciliata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 29. Outgoing r'ship FOUND_IN to/from Foeniculum Vulgare (Plant) Rel Props:Source_db:npass_chem_all
  • 30. Outgoing r'ship FOUND_IN to/from Ginkgo Biloba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 31. Outgoing r'ship FOUND_IN to/from Hypericum Perforatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 32. Outgoing r'ship FOUND_IN to/from Illicium Verum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 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 Lepechinia Caulescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 35. Outgoing r'ship FOUND_IN to/from Lindera Aggregata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 36. Outgoing r'ship FOUND_IN to/from Lobelia Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 37. Outgoing r'ship FOUND_IN to/from Lonicera Japonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 38. Outgoing r'ship FOUND_IN to/from Maprounea Guianensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 39. Outgoing r'ship FOUND_IN to/from Mosla Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 40. Outgoing r'ship FOUND_IN to/from Ocimum Basilicum (Plant) Rel Props:Source_db:fooddb_chem_all
  • 41. Outgoing r'ship FOUND_IN to/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 42. Outgoing r'ship FOUND_IN to/from Panax Notoginseng (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 43. Outgoing r'ship FOUND_IN to/from Panax Quinquefolius (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 44. Outgoing r'ship FOUND_IN to/from Perilla Frutescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 45. Outgoing r'ship FOUND_IN to/from Peritassa Campestris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 46. Outgoing r'ship FOUND_IN to/from Piper Nigrum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 47. Outgoing r'ship FOUND_IN to/from Prunella Vulgaris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 48. Outgoing r'ship FOUND_IN to/from Prunus Persica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 49. Outgoing r'ship FOUND_IN to/from Pseudotsuga Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 50. Outgoing r'ship FOUND_IN to/from Psidium Guajava (Plant) Rel Props:Source_db:fooddb_chem_all
  • 51. Outgoing r'ship FOUND_IN to/from Saussurea Costus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 52. Outgoing r'ship FOUND_IN to/from Schisandra Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 53. Outgoing r'ship FOUND_IN to/from Senna Alexandrina (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 54. Outgoing r'ship FOUND_IN to/from Vitex Negundo (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 55. Outgoing r'ship FOUND_IN to/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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