General Information of the Compound
Compound ID
CP0472034
Compound Name
12-Hydroxy-Dodecanoic Acid
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Synonyms
12-Hydroxydodecanoic acid
12-hydroxy dodecanoic acid
12-hydroxy lauric acid
12-hydroxy-dodecanoic acid
12-hydroxylauric acid
12H
505-95-3
AC1L2WIA
AC1Q7CPY
ACMC-209x3w
AK-51216
CHEBI:39567
Dodecanoic acid, 12-hydroxy-
Dodecanoic acid,12-hydroxy-
EINECS 208-025-0
J-504146
NSC 159293
NSC 664211
NSC664211
Sabinic acid
ZDHCZVWCTKTBRY-UHFFFAOYSA-N
omega hydroxy dodecanoate
omega-Hydroxydodecanoic acid
omega-OH dodecanoic acid
omega-OH lauric acid
omega-hydroxy d
omega-hydroxy lauric acid
omega-hydroxydodecanoate
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Structure
Formula
C12H24O3
Molecular Weight
216.321
Canonical SMILES
OCCCCCCCCCCCC(O)=O
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InChI
InChI=1S/C12H24O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h13H,1-11H2,(H,14,15)
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InChIKey
ZDHCZVWCTKTBRY-UHFFFAOYSA-N
CAS
505-95-3
Physicochemical Property
logP
2.9643
Rotatable Bonds
11
Heavy Atom Count
15
Polar Areas
57.53
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
15

"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: 79034
SID: 14843603
ChEMBL ID
CHEMBL55068
DrugBank ID
DB03704
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
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
EC50 > 100000 nM
   TI
   LI
   LO
   TS
Protein ID: PT04427, Free fatty acid receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
EC50 > 100000 nM
   TI
   LI
   LO
   TS
Protein ID: PT04383, G-protein coupled receptor 84
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  3
1
EC50 = 20892.96 nM
   TI
   LI
   LO
   TS
2
EC50 > 100000 nM
   TI
   LI
   LO
   TS
3
Ki > 10000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 12-hydroxylauric acid )
Drug Name 12-hydroxylauric acid