DICL_CP_0308121 - DICL Database

Basic Molecular Information

Basic Information

DICL ID

DICL_CP_0308121

PubChem CID

637566

Molecular Formula

C₁₀H₁₈O

Molecular Weight

154.253 g/mol

Synonyms/Alias

[GERANIOL; 106-24-1; Geranyl alcohol; Lemonol; trans-Geraniol; (E)-3;7-Dimethylocta-2;6-dien-1-ol; (E)-Geraniol; (2E)-3;7-dimethylocta-2;6-dien-1-ol; (E)-Nerol; trans-3;7-Dimethyl-2;6-octadien-1-ol; G...[GERANIOL; 106-24-1; Geranyl alcohol; Lemonol; trans-Geraniol; (E)-3;7-Dimethylocta-2;6-dien-1-ol; (E)-Geraniol; (2E)-3;7-dimethylocta-2;6-dien-1-ol; (E)-Nerol; trans-3;7-Dimethyl-2;6-octadien-1-ol; Geraniol Extra; Geraniol alcohol; (E)-3;7-Dimethyl-2;6-octadien-1-ol; beta-Geraniol; t-geraniol; 2;6-Octadien-1-ol; 3;7-dimethyl-; (2E)-; 3;7-Dimethyl-trans-2;6-octadien-1-ol; Guaniol; Geraniol (natural); 2-trans-3;7-Dimethyl-2;6-octadien-1-ol; 3;7-Dimethyl-2;6-octadien-1-ol; 2E-geraniol; (2E)-3;7-Dimethyl-2;6-octadien-1-ol; FEMA No. 2507; CHEBI:17447; 2;6-Octadien-1-ol; 3;7-dimethyl-; (E)-; NSC 9279; NSC-9279; 2;6-Dimethyl-2;6-octadien-8-ol; CCRIS 7243; HSDB 484; 2;6-Octadien-1-ol; 3;7-dimethyl-; 2;6-Octadien-1-ol; 3;7-dimethyl-; trans-; NSC9279; 3;7-dimethylocta-2;6-dien-1-ol; 3;7-Dimethyl-2;6-octadien-1-ol; (E)-; EINECS 203-377-1; (2E)-geraniol; Citrol; UNII-L837108USY; BRN 1722456; 624-15-7; trans-3;7-dimethyl-2;6-octadien-8-ol; DTXSID8026727; AI3-00206; L837108USY; MFCD00002917; 2;6-Dimethyl-trans-2;6-octadien-8-ol; DTXCID406727; EC 203-377-1; 4-01-00-02277 (Beilstein Handbook Reference); Geraniol-D6; Geraniol 1000 microg/mL in Isopropanol; trans-2;6-Dimethyl-2;6-octadien-8-ol; 3;7-Dimethyl-(E)-2;6-Octadien-1-ol; 2-trans-3;7-dimethyl-2;6-octadiene-1-ol; GERANIOL (MART.); GERANIOL [MART.]; 3;7-Dimethyl-2;6-octadienol; racemic Geraniol; CAS-106-24-1; 1-Octanol; 3;7-dimethyl-; tetradehydro deriv.; EPA Pesticide Chemical Code 597501; palmarosa; Meranol; kansho-shochu; Basil; b-Geraniol; .beta.-Geraniol; Geraniol (E); EINECS 210-831-2; EINECS 269-750-6; Geraniol; 98%; ROSE OIL; 2;6-octadien-8-ol; GERANIOL [FHFI]; GERANIOL [HSDB]; GERANIOL [FCC]; GERANIOL [MI]; Spectrum5_001513; cis-3;6-octadien-1-ol; Epitope ID:181525; GERANIOL [WHO-DD]; trans-3;6-octadien-1-ol; 3;7-Dimethyloctan-1-ol; tetradehydro derivative; SCHEMBL19824; SCHEMBL19826; BSPBio_002919; Geraniol; analytical standard; CHEMBL25719; SPECTRUM1501132; 2; 3;7-dimethyl-; trans-; GTPL2467; 2; 3;7-dimethyl-;(Z)-; CHEBI:24221; FEMA 2507; geraniol natural (ex citronella); HMS500J15; NCI9279; 2; 3;7-dimethyl-; (E)-; 2; 3;7-dimethyl-; (Z)-; Geraniol; >=97%; FCC; FG; Geraniol; natural; >=97%; FG; HMS1921H17; HY-N6952; NSC46105; Tox21_110010; Tox21_202386; Tox21_300136; (E)-3;7-dimethyl-2;6-octadienol; BDBM50037023; CCG-37618; NCGC00013095; s5530; WLN: Q2UY1&3UY1&1 -T; AKOS009031393; Tox21_110010_1; DB14183; LMPR0102010016; (E)-3;7-dimethyl-2;6octadien-1-ol; IDI1_000193; USEPA/OPP Pesticide Code: 597501; 3;7-dimethyl-octa-2trans;6-dien-1-ol; NCGC00013095-01; NCGC00013095-02; NCGC00013095-03; NCGC00013095-04; NCGC00013095-05; NCGC00013095-06; NCGC00013095-07; NCGC00013095-08; NCGC00013095-10; NCGC00094905-01; NCGC00094905-02; NCGC00094905-03; NCGC00094905-04; NCGC00094905-05; NCGC00253926-01; NCGC00259935-01; AS-12880; Geraniol; Vetec(TM) reagent grade; 97%; LS-13866; Octadien-1-ol; 3;7-dimethyl-; (E)-; (E)-3;7-dimethyl-octa-2;6-dien-1-ol; geraniol;2;6-dimethyl-2;6-octadien-8-ol; trans-3;7-Dimethy- octa-2;6-dien-1-ol; trans-3;7-Dimethyl octa-2;6-dien-1-ol; WLN: Q2UY1 & 3UY1 & 1-C; WLN: Q2UY1 & 3YU1 & 1-Z; 3;7-Dimethyl-(2E)-2;6-Octadien-1-ol; 2;6-Octadien-1-ol;3;7-Dimethyl-;(E)-; CS-0003478; G0027; NS00001866; (2E)-3;7-Dimethyl-2;6-octadien-1-ol #; EN300-19327; C01500; E80768; EN300-349311; Q410836; SR-05000002389; Q-201154; SR-05000002389-1; BRD-K03568070-001-01-1; Q27109834; Flavor and Extract Manufacturers Association No. 2507; Z104473544; A884F9B1-42B7-4350-ACC7-8E71E86A9943]

InChI Key

GLZPCOQZEFWAFX-JXMROGBWSA-N

InChI

InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+

IUPAC Name

(2E)-3,7-dimethylocta-2,6-dien-1-ol

CAS Number

N/A (Not available)

Structure Information

Chemical Structure Visualization

SMILES Notation

2D Molecular Drawing

Carbon (C)

Hydrogen (H)

Oxygen (O)

Nitrogen (N)

Sulfur (S)

SDF

29 28 0 0 0 0 0 0 0 0999 V2000
-3.0943 -0.8969 1.2664 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4861 -0.3296 0.0099 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4668 0.549...

Download SDF File (2471 bytes)

Experimental Data

Activity Data

Target Ion Channel

Transient receptor potential cation channel subfamily V member 1

Uniprot Accession Number

Q8NER1

Function

Antagonist

Species

Homo sapiens (Human)

IC₅₀

IC₅₀: >100000 nM

EC₅₀

N/A (Not available)

K_i

N/A (Not available)

K_d

N/A (Not available)

Inhibition

N/A (Not available)

Experimental Conditions

pH 7.4

Holding Potential

Not specified

Temperature

25 °C

Test Method

Fluorometric Imaging Plate Reader (FLIPR) Membrane Potential Assay

Test Species

HEK293 cell (Homo sapiens embryonic kidney 293 cell)

Binding Information

Binding Site

Extracellular domain

Binding Site Residue

Determined against the effect of capsaicin (0.1 μM)

Disease Information

Related Disease

Not specified

References

DOI

10.1016/j.bmcl.2014.10.012

URL

N/A (Not available)

PMID

25455494

Patent

N/A (Not available)

Computed Properties

Heavy Atom Count

Rotatable Bonds

logP

2.6714

Complexity

49.5078

TPSA (Å²)

20.23

H-Bond Donors

H-Bond Acceptors

Ring Count

New Search

Molecular Details

Basic Molecular Information

Basic Information

Structure Information

Chemical Structure Visualization

Experimental Data

Activity Data

Experimental Conditions

Binding Information

Disease Information

References

Computed Properties