General Information of the Compound
Compound ID
CP0015582
Compound Name
(Z)-9-octadecenoic acid
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Synonyms
(Z)-Octadec-9-enoic acid
112-80-1
9-Octadecenoic acid (Z)-
Century cd fatty acid
Elaidoic acid
Emersol 205
Emersol 210
Emersol 211
Emersol 213
Emersol 233LL
Emersol 6321
Extraolein 90
Glycon RO
Glycon wo
Groco 2
Groco 4
Groco 5l
Groco 6
Industrene 105
Industrene 205
Industrene 206
L'Acide oleique
Metaupon
OLEIC ACID
Oelsauere
Oleine 7503
Oleinic acid
Pamolyn
Pamolyn 100
Tego-oleic 130
Vopcolene 27
Wecoline OO
Z-9-Octadecenoic acid
cis-9-Octadecenoic acid
cis-Octadec-9-enoic acid
cis-Oleic acid
oleate
oleic acid
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Structure
Formula
C18H34O2
Molecular Weight
282.468
Canonical SMILES
CCCCCCCC\C=C/CCCCCCCC(O)=O
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InChI
InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-
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InChIKey
ZQPPMHVWECSIRJ-KTKRTIGZSA-N
CAS
17156-84-2
56833-51-3
8046-01-3
68412-07-7
Physicochemical Property
logP
6.1085
Rotatable Bonds
15
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: 445639
SID: 87550986
ChEMBL ID
CHEMBL8659
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: PT06109, Geminin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480 Homo sapiens (Human)  1
1
Potency ~ 3162.3 nM
   TI
   LI
   LO
   TS
Protein ID: PT00910, Peroxisome proliferator-activated receptor alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 36000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 600 nM
Protein ID: PT06137, Transient receptor potential cation channel subfamily V member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( OLEIC ACID )
Drug Name OLEIC ACID
Target(s)
Fatty acid-binding protein 1 (FABP1)
Inhibitor
Fatty acid-binding protein 4 (FABP4)
Inhibitor