General Information of the Compound
Compound ID
CP0056340
Compound Name
(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol
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Synonyms
2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-, (2E,6Z)-
2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-, (2Z,6Z)-
3,7,11-trimethyldodeca-2,6,10-trien-1-ol
4602-84-0
AC1L1FOK
ACMC-209ukw
ACMC-20aplp
CTK0E6577
CTK0H6624
CTK1B4647
CTK1D5922
DTXSID3032389
DivK1c_006645
Farnesol
Farnesyl alcohol
GTPL3215
KBio1_001589
KBio2_001762
KBio2_004330
KBio2_006898
KBio3_001880
KBioGR_001682
KBioSS_001762
MolPort-006-116-336
SPBio_001414
SpecPlus_000549
Spectrum2_001397
Spectrum3_001070
Spectrum4_001221
Spectrum_001282
farnesol
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Structure
Formula
C15H26O
Molecular Weight
222.372
Canonical SMILES
CC(C)=CCC\C(C)=C\CC\C(C)=C\CO
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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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InChIKey
CRDAMVZIKSXKFV-YFVJMOTDSA-N
CAS
106-28-5
4602-84-0
Physicochemical Property
logP
4.3979
Rotatable Bonds
7
Heavy Atom Count
16
Polar Areas
20.23
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
16

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 445070
SID: 15121467
ChEMBL ID
CHEMBL25308
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02311, UDP-glucuronosyltransferase 1A1
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  2
1
IC50 = 40000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
IC50 = 47000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Farnesol )
Drug Name Farnesol
Target(s)
Monoamine oxidase type B (MAO-B)
 Target Info 
Inhibitor