General Information of the Compound
| Compound ID |
CP0389070
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-hydroxydodecanoic acid
Show/Hide
|
||||||||||||||||||
| Synonyms |
3-hydroxy lauric acid
3-hydroxylauric acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C12H24O3
|
||||||||||||||||||
| Molecular Weight |
216.321
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCCCCC(O)CC(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C12H24O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15/h11,13H,2-10H2,1H3,(H,14,15)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MUCMKTPAZLSKTL-UHFFFAOYSA-N
|
||||||||||||||||||
| CAS |
1883-13-2
|
||||||||||||||||||
| Physicochemical Property |
"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). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
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 ID: PT04427, Free fatty acid receptor 4
Protein ID: PT04383, G-protein coupled receptor 84
Cell-based Assay
Clinical Information about the Compound