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(2-cis,6-trans)-Farnesol

PubChem CID: 1549108

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Compound Synonyms (2Z,6E)-Farnesol, (Z,E)-Farnesol, cis,trans-Farnesol, 2-cis,6-trans-Farnesol, 3790-71-4, (2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol, (2-cis,6-trans)-farnesol, (Z,E)-3,7,11-Trimethyl-2,6,10-dodecatrien-1-ol, Farnesol, (2Z,6E)-, SQ4TI19PXT, (2-cis,6-trans)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol, (2Z,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-ol, CIS-TRANS-FARNESOL, 2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-, (Z,E)-, CHEBI:16774, 3,7,11-trimethyldodeca-2Z,6E,10-trien-1-ol, Farnesyl alcohol, UNII-SQ4TI19PXT, NSC60597, (Z)-Farnesol, cis,trans-.alpha.-Farnesol, SCHEMBL806894, CHEMBL5185759, CIS-2-TRANS-6-FARNESOL, DTXSID30274196, LMPR0103010013, FEMA NO. 2478, (2Z,6E)-, 2-cis,6-trans-Farnesol, >=95.0% (GC), C03220, EN300-7460532, 3,7,11-trimethyl-dodeca-2cis,6trans,10-trien-1-ol, Q27102070, 2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-, (2Z,6E)-
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 OC/C=CCC/C=C/CCC=CC)C)))))C)))))/C
Heavy Atom Count 16.0
Classyfire Class Prenol lipids
Description (z)-farnesol, also known as 2-cis,6-trans-farnesol or (z,e)-3,7,11-trimethyl-2,6,10-dodecatrien-1-ol, is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. Thus, (z)-farnesol is considered to be an isoprenoid lipid molecule (z)-farnesol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). (z)-farnesol can be found in linden, which makes (z)-farnesol a potential biomarker for the consumption of this food product.
Classyfire Subclass Sesquiterpenoids
Isotope Atom Count 0.0
Molecular Complexity 265.0
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name (2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol
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
Subclass Sesquiterpenoids
Gsk 4 400 Rule False
Molecular Formula C15H26O
Prediction Swissadme 0.0
Inchi Key CRDAMVZIKSXKFV-PVMFERMNSA-N
Silicos It Class Soluble
Fcsp3 0.6
Logs -1.555
Rotatable Bond Count 7.0
Logd 3.484
Synonyms (±)-cis,trans-Farnesol, (2-cis,6-trans)-3,7,11-Trimethyldodeca-2,6,10-trien-1-ol, (2Z,6E)-3,7,11-Trimethyldodeca-2,6,10-trien-1-ol, (2Z,6E)-Farnesol, (Z,E)-3,7,11-Trimethyl-2,6,10-dodecatrien-1-ol, (Z,E)-Farnesol, 2-cis,6-trans-Farnesol, 2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-, (Z,E)-, cis,trans-Farnesol, (Z,e)-3,7,11-Trimethyl-2,6,10-dodecatrien-1-ol, (Z,e)-Farnesol, (2-cis,6-trans)-Farnesol, (2,e)-farnesol, (2z)-(6e)-farnesol, (2z, 6e)-farnesol, (2z,6e) farnesol, (2z,6e)-farnesol, (2z,ge)-farnesol, (z)-(e)-farnesol, (z,e)- farnesol, (z,e)-farnesol, 2(z),6(e)-farnesol, 2z,6e-farnesol, cis trans-farnesol, cis,trans-farnesol, cis-trans farnesol, farnesol,(ze)-, z,e-farnesol
Esol Class Soluble
Functional Groups C/C=C(/C)C, C/C=C(C)C, CC=C(C)C, CO
Compound Name (2-cis,6-trans)-Farnesol
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 222.198
Formal Charge 0.0
Monoisotopic Mass 222.198
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 222.37
Gi Absorption False
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 -4.1713064
Inchi InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11-
Smiles CC(=CCC/C(=C/CC/C(=C\CO)/C)/C)C
Nring 12.0
Np Classifier Biosynthetic Pathway Terpenoids
Defined Bond Stereocenter Count 2.0
Egan Rule True
Taxonomy Direct Parent Sesquiterpenoids
Np Classifier Superclass Sesquiterpenoids, Monoterpenoids

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