Structure database (LMSD)

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LM IDLMPR0103010013
Common Name(2-cis,6-trans)-farnesol
Systematic Name3,7,11-trimethyldodeca-2Z,6E,10-trien-1-ol
Synonyms(2-cis,6-trans)-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-cis,6-trans-farnesol; cis,trans-farnesol
Exact Mass
222.1984 (neutral)    Calculate m/z:
FormulaC15H26O
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC15 isoprenoids (sesquiterpenes) [PR0103]
Class Level 4Acyclic farnesane sesquiterpenoids [PR010301]
PubChem CID1549108
KEGG IDC03220
HMDB IDHMDB0059849
CHEBI ID16774
InChIKeyCRDAMVZIKSXKFV-PVMFERMNSA-N  Show lipids differing only in stereochemistry/bond geometry
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-
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SMILES
C/C(=C/CO)/CC/C=C(\C)/CC/C=C(\C)/C
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms16Rings0Aromatic Rings0Rotatable Bonds7
 van der Waals
Molecular Volume
268.93Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP4.68Molar
Refractivity
72.99