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1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, [S-(Z)]-

PubChem CID: 5320128

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Compound Synonyms cis-Nerolidol, 3790-78-1, Nerolidol cis-form, (6Z)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol, (6Z)-nerolidol, (Z)-Nerolidol, (Z)-3,7,11-Trimethyldodeca-1,6,10-trien-3-ol, 81K23DEF7B, DTXSID1047239, cis-3,7,11-Trimethyl-1,6,10-dodecatrien-3-ol, 1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, [S-(Z)]-, Peruviol, (+)-Nerolidol, 1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, (Z)-(S)-(+)-, MFCD00085350, Nerolidol, cis-(+)-, UNII-81K23DEF7B, 1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, (S-(Z))-, Nerolidol isomer, MFCD00008911, NSC 60598, 1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, (6Z)-, 1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, (Z)- (8CI), (6Z)-3,7,11-Trimethyl-1,6,10-dodecatrien-3-ol, (Z)-Nerolidol, (+/-)-cis-Nerolidol, cis-Nerolidol, EINECS 223-263-5, trans-3,7,11-Trimethyl-1,6,10-dodecatrien-3-ol, Nerolidol,cis-(sg), NEROLIDOL, CIS-, (6Z)-3,7,11-Trimethyl-1,6,10-dodecatrien-3-ol, (6Z)-(+/-)-nerolidol, SCHEMBL7057492, CHEMBL3185053, DTXCID9027239, NEROLIDOL CIS-FORM [MI], FQTLCLSUCSAZDY-KAMYIIQDSA-, HY-N1944A, 1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, (6Z)-, CHEBI:173119, cis-Nerolidol, >=96.0% (GC), Tox21_302456, AKOS032949863, NEROLIDOL, (6Z)-(+/-)-, NCGC00256775-01, FN167234, CAS-3790-78-1, DB-235238, CS-0253665, NS00082407, (+/-)-cis-Nerolidol 100 microg/mL in Methanol, (E)-3,7,11-Trimethyl-1,6,10-dodecatrien-3-ol, Q27269256, 3,7,11-Trimethyl-1,6,10-dodecatriene-3-ol, (Z)-(S)-(+)-, InChI=1/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-
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 20.2
Hydrogen Bond Donor Count 1.0
Pfizer 3 75 Rule False
Np Classifier Class Acyclic monoterpenoids, Farnesane sesquiterpenoids
Deep Smiles C=CCCC/C=CCCC=CC)C)))))/C)))))O)C
Heavy Atom Count 16.0
Classyfire Class Prenol lipids
Classyfire Subclass Sesquiterpenoids
Isotope Atom Count 0.0
Molecular Complexity 269.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id Q16236
Iupac Name (6Z)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol
Prediction Hob 1.0
Veber Rule True
Classyfire Superclass Lipids and lipid-like molecules
Xlogp 4.6
Gsk 4 400 Rule False
Molecular Formula C15H26O
Prediction Swissadme 1.0
Inchi Key FQTLCLSUCSAZDY-KAMYIIQDSA-N
Silicos It Class Soluble
Fcsp3 0.6
Logs -3.794
Rotatable Bond Count 7.0
Logd 3.652
Synonyms (z)-nerolidol, cis-nerolidol, nerolidol (cis), nerolidol, cis
Esol Class Soluble
Functional Groups C/C=C(C)C, C=CC, CC=C(C)C, CO
Compound Name 1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, [S-(Z)]-
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
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 1.0
Lipinski Rule Of 5 True
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-
Smiles CC(=CCC/C(=C\CCC(C)(C=C)O)/C)C
Nring 0.0
Np Classifier Biosynthetic Pathway Terpenoids
Defined Bond Stereocenter Count 1.0
Egan Rule True
Np Classifier Superclass Sesquiterpenoids, Monoterpenoids

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  • 2. Outgoing r'ship FOUND_IN to/from Achillea Millefolium (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644015
  • 3. Outgoing r'ship FOUND_IN to/from Acorus Calamus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 4. Outgoing r'ship FOUND_IN to/from Actaea Cimicifuga (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 5. Outgoing r'ship FOUND_IN to/from Actaea Dahurica (Plant) Rel Props:Source_db:cmaup_ingredients
  • 6. Outgoing r'ship FOUND_IN to/from Actaea Simplex (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 7. Outgoing r'ship FOUND_IN to/from Ageratum Conyzoides (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279
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  • 14. Outgoing r'ship FOUND_IN to/from Amomum Xanthioides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 15. Outgoing r'ship FOUND_IN to/from Angelica Pubescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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  • 27. Outgoing r'ship FOUND_IN to/from Bupleurum Falcatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 28. Outgoing r'ship FOUND_IN to/from Bupleurum Scorzonerifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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  • 38. Outgoing r'ship FOUND_IN to/from Citrus Maxima (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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  • 45. Outgoing r'ship FOUND_IN to/from Curcuma Longa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 46. Outgoing r'ship FOUND_IN to/from Curcuma Phaeocaulis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 47. Outgoing r'ship FOUND_IN to/from Curcuma Wenyujin (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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  • 53. Outgoing r'ship FOUND_IN to/from Dolomiaea Souliei (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 54. Outgoing r'ship FOUND_IN to/from Echinacea Angustifolia (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1657
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  • 56. Outgoing r'ship FOUND_IN to/from Elsholtzia Bodinieri (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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  • 66. Outgoing r'ship FOUND_IN to/from Ferula Fukanensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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  • 92. Outgoing r'ship FOUND_IN to/from Murraya Exotica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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  • 95. Outgoing r'ship FOUND_IN to/from Myroxylon Pereirae (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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  • 100. Outgoing r'ship FOUND_IN to/from Panax Quinquefolius (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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  • 112. Outgoing r'ship FOUND_IN to/from Salvia Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1287008
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  • 116. Outgoing r'ship FOUND_IN to/from Schisandra Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 117. Outgoing r'ship FOUND_IN to/from Selinum Vaginatum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.905873
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  • 120. Outgoing r'ship FOUND_IN to/from Syzygium Nervosum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1994.9699366
  • 121. Outgoing r'ship FOUND_IN to/from Tagetes Erecta (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2002.9699913
  • 122. Outgoing r'ship FOUND_IN to/from Tagetes Lucida (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2004.9698767
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  • 124. Outgoing r'ship FOUND_IN to/from Tagetes Tenuifolia (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2004.9698767
  • 125. Outgoing r'ship FOUND_IN to/from Teucrium Polium (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279
  • 126. Outgoing r'ship FOUND_IN to/from Thymus Fedtschenkoi (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2002.9699808
  • 127. Outgoing r'ship FOUND_IN to/from Thymus Kotschyanus (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.3333
  • 128. Outgoing r'ship FOUND_IN to/from Thymus Vulgaris (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199603)11:2<123::aid-ffj555>3.0.co;2-1
  • 129. Outgoing r'ship FOUND_IN to/from Tithonia Diversifolia (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644125
  • 130. Outgoing r'ship FOUND_IN to/from Tussilago Farfara (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2011.10643595
  • 131. Outgoing r'ship FOUND_IN to/from Valeriana Jatamansi (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199703)12:2<123::aid-ffj613>3.0.co;2-4
  • 132. Outgoing r'ship FOUND_IN to/from Valeriana Jatamansii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 133. Outgoing r'ship FOUND_IN to/from Vitex Negundo (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 134. Outgoing r'ship FOUND_IN to/from Zanthoxylum Bungeanum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 135. Outgoing r'ship FOUND_IN to/from Zanthoxylum Piperitum (Plant) Rel Props:Source_db:npass_chem_all
  • 136. Outgoing r'ship FOUND_IN to/from Zanthoxylum Schinifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 137. Outgoing r'ship FOUND_IN to/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 138. Outgoing r'ship FOUND_IN to/from Zingiber Zerumbet (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1995.9698490
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