General Information of the Compound
Compound ID
CP0023295
Compound Name
(9Z,12Z)-octadeca-9,12-dienoic acid
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Synonyms
(9Z,12Z)-octadeca-9,12-dienoic acid
(Z,Z)-9,12-Octadecadienoic acid
60-33-3
9,12-Linoleic acid
9-cis,12-cis-Linoleic acid
9Z,12Z-Linoleic acid
9Z,12Z-octadecadienoic acid
Emersol 310
Emersol 315
Extra Linoleic 90
Grape seed oil
LINOLEIC ACID
Linoleate
Linoleic
Linolic acid
Oils, grape
Polylin 515
Polylin No. 515
Telfairic acid
Unifac 6550
acide linoleique
acido lino
all-cis-9,12-Octadecadienoic acid
alpha-Linoleic acid
cis,cis-9,12-Octadecadienoic acid
cis,cis-Linoleic acid
cis-9,cis-12-Octadecadienoic acid
linoleic acid
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Structure
Formula
C18H32O2
Molecular Weight
280.452
Canonical SMILES
CCCCC\C=C/C\C=C/CCCCCCCC(O)=O
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InChI
InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-
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InChIKey
OYHQOLUKZRVURQ-HZJYTTRNSA-N
CAS
2197-37-7
60-33-3
506-21-8
80969-37-5
8024-22-4
17966-12-0
Physicochemical Property
logP
5.8845
Rotatable Bonds
14
Heavy Atom Count
20
Polar Areas
37.3
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
20

"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: 5280450
SID: 14897568
ChEMBL ID
CHEMBL267476
DrugBank ID
DB14104
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
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 = 4800 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
CL000043 U2OS
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 = 316.23 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( LINOLEIC ACID )
Drug Name LINOLEIC ACID
Target(s)
Fatty acid-binding protein 4 (FABP4)
 Target Info 
Inhibitor