General Information of the Compound
Compound ID
CP0323182
Compound Name
10-Gingerol
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Structure
Formula
C21H34O4
Molecular Weight
350.499
Canonical SMILES
CCCCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1
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InChI
InChI=1S/C21H34O4/c1-3-4-5-6-7-8-9-10-18(22)16-19(23)13-11-17-12-14-20(24)21(15-17)25-2/h12,14-15,18,22,24H,3-11,13,16H2,1-2H3/t18-/m0/s1
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InChIKey
AIULWNKTYPZYAN-SFHVURJKSA-N
CAS
23513-15-7
Physicochemical Property
logP
4.7942
Rotatable Bonds
14
Heavy Atom Count
25
Polar Areas
66.76
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
25

"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: 168115
SID: 123104083
ChEMBL ID
CHEMBL549472
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 = 3740 nM
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   LI
   LO
   TS