General Information of the Compound
Compound ID
CP0647624
Compound Name
SID26756481
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Synonyms
6-Gingerol
[6]-Gingerol
gingerol
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Structure
Formula
C17H26O4
Molecular Weight
294.391
Canonical SMILES
CCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1
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InChI
InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3/t14-/m0/s1
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InChIKey
NLDDIKRKFXEWBK-AWEZNQCLSA-N
Physicochemical Property
logP
3.2338
Rotatable Bonds
10
Heavy Atom Count
21
Polar Areas
66.76
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
21

"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: 442793
SID: 16813919
ChEMBL ID
CHEMBL402978
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: PT00819, 5-hydroxytryptamine receptor 1A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki > 100000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( gingerol )
Drug Name gingerol
Target(s)
Transformation-sensitive protein p120 (TRPA1)
Activator