General Information of the Compound
Compound ID
CP0155897
Compound Name
CHEBI:30805
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Synonyms
1-Undecanecarboxylic acid
143-07-7
ABL
Aliphat No. 4
C-1297
C12 fatty acid
CCRIS 669
Coconut oil fatty acids
DODECANOIC ACID
Dodecoic acid
Dodecylcarboxylate
Dodecylic acid
Duodecyclic acid
Duodecylic acid
Hydrofol acid 1255
Hydrofol acid 1295
Hystrene 9512
Lauric Acid
Lauric acid (natural)
Lauric acid, pure
Laurinsaeure
Laurostearic acid
NSC-5026
Neo-fat 12
Neo-fat 12-43
Ninol AA62 Extra
UNII-1160N9NU9U
Undecane-1-carboxylic acid
Univol U-314
Vulvic acid
Wecoline 1295
lauric acid
n-Dodecanoate
n-Dodecanoic acid
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Structure
Formula
C12H24O2
Molecular Weight
200.322
Canonical SMILES
CCCCCCCCCCCC(O)=O
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InChI
InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)
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InChIKey
POULHZVOKOAJMA-UHFFFAOYSA-N
CAS
8045-27-0
203714-07-2
7632-48-6
143-07-7
8000-62-2
Physicochemical Property
logP
3.9919
Rotatable Bonds
10
Heavy Atom Count
14
Polar Areas
37.3
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
14

"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: 3893
SID: 15195524
ChEMBL ID
CHEMBL108766
DrugBank ID
DB03017
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: PT02793, Free fatty acid receptor 1
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000094 1321N1
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 = 758.58 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 = 7943.28 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
CL000460 Flp-In-T-REx-293
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 = 11481.54 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT04427, Free fatty acid receptor 4
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 = 7585.78 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT04383, G-protein coupled receptor 84
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  6
1
EC50 = 3490 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
EC50 = 8709.64 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
3
EC50 = 8800 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
4
EC50 = 8870 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
5
EC50 = 10471.29 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
6
Ki = 2170 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Lauric Acid )
Drug Name Lauric Acid
Target(s)
Toll-like receptor 4 (TLR4)
 Target Info 
Inhibitor
Lymphocyte antigen 96 (LY96)
 Target Info 
Inhibitor
Lactotransferrin (LTF)
 Target Info 
Inhibitor
Group IIA phospholipase A2 (GIIA sPLA2)
 Target Info 
Inhibitor
Mycobacterium 3-oxoacyl-[acyl-carrier-protein] synthase 1 (MycB kasA)
 Target Info 
Inhibitor
Hepatocyte nuclear factor 4-alpha (HNF4A)
 Target Info 
Inhibitor