Details of the Drug Inactive Ingredient (DIG)

General Information of DIG (ID: E00SKG)
DIG Name
Ricinoleic acid
Synonyms    Click to Show/Hide the Synonyms of This DIG
RICINOLEIC ACID; 141-22-0; Ricinolic acid; Ricinic acid; (R,Z)-12-Hydroxyoctadec-9-enoic acid; Castor oil acid; 12-Hydroxy-cis-9-octadecenoic acid; Kyselina ricinolova; 9-Octadecenoic acid, 12-hydroxy-, (9Z,12R)-; (9Z,12R)-12-hydroxyoctadec-9-enoic acid; D-12-Hydroxyoleic acid; Oleic acid, 12-hydroxy-; 12-hydroxyoleic acid; Nouracid CS 80; 9-Octadecenoic acid, 12-hydroxy-, [R-(Z)]-; UNII-I2D0F69854; Kyselina 12-hydroxy-9-oktadecenova; l'acide ricinoleique; NSC 281242; CHEBI:28592; 12-Hydroxyoctadeca-9-enoic acid; 12R-hydroxy-9Z-octadecenoic acid; MFCD00084840; 12-D-Hydroxy-9-cis-octadecenoic acid; I2D0F69854; 12-Hydroxy-9-octadecenoic acid; (R)-12-Hydroxy-cis-9-octadecenoic acid; 9-Octadecenoic acid, 12-hydroxy-, (R-(Z))-; DSSTox_CID_21567; DSSTox_RID_79777; DSSTox_GSID_41567; Riconoleic acid; Ricinusoleic acid; Acide ricinoleique; [r]-12-hydroxy-cis-9-octadecenoic acid; CAS-141-22-0; NCGC00161336-02; (cis,R)-12-hydroxyoctadec-9-enoic acid; Acide ricinoleique [French]; Kyselina ricinolova [Czech]; Ricinolsaeure; ricinoleic-acid; 9-Octadecenoic acid, 12-hydroxy-; l'Acide ricinoleique [French]; HSDB 5634; 9-Octadecenoic acid,12-hydroxy-,(Z)-; NCGC00181322-01; EINECS 205-470-2; VESPULA PENSYLVANICA B708568K062; (9Z,12R)-12-Hydroxy-9-octadecensaeure; (R-(Z))-12-Hydroxy-9-octadecenoic acid; 9-Octadecenoic acid, 12-hydroxy-, (Z)-; AI3-17956; 9-Octadecenoic acid, 12-hydroxy-, (cis)-; Kyselina 12-hydroxy-9-oktadecenova [Czech]; Ricinoleic acid, >=99%; SCHEMBL18144; Flexricin 100 (Salt/Mix); BML2-F10; 9-Octadecenoicacid,12-hydroxy-; CHEMBL3186422; DTXSID0041567; HY-N6070; 12-Hydroxy-9(Z)-octadecenoic acid; Ricinoleic acid, analytical standard; Tox21_113406; Tox21_301098; LMFA02000184; ZINC12954494; 12R-Hydroxy-9-cis-octadecenoic Acid; AKOS016005826; (9Z)-(12R)-Hydroxyoctadecenoic acid; DB02955; (Z,R)-12-hydroxyoctadec-9-enoic acid; 12-OH 9c-18:1; NCGC00161336-01; NCGC00161336-03; NCGC00181089-01; NCGC00254998-01; (9Z)-12-Hydroxy-9-octadecenoic acid #; AK-59237; AS-65782; CS-0032307; R0027; C08365; Ricinoleic acid, Vetec(TM) reagent grade, 80%; Q424484; 9-Octadecenoic acid, 12-hydroxy-, (theta-(Z))-; W-108189; 9-Octadecenoic acid, 12-hydroxy-, (R-(Z))- (9CI)
DIG Function
Emollient; Emulsifying agent
PubChem CID
643684
Formula
C18H34O3
Canonical SMILES
CCCCCC[C@H](C/C=C\\CCCCCCCC(=O)O)O
InChI
1S/C18H34O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21)/b12-9-/t17-/m1/s1
InChIKey
WBHHMMIMDMUBKC-QJWNTBNXSA-N
   Click to Show/Hide the Molecular Data (Structure/Property) of This DIG
Structure
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=643684"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 298.5 Topological Polar Surface Area 57.5
XlogP 5.7 Complexity 261
Heavy Atom Count 21 Rotatable Bond Count 15
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 3
Full List of Biological Targets of DIG (DBTs) Regulated by This DIG
      G-protein coupled receptor (GPCR)
            DBT Name: Free fatty acid receptor 1 (FFAR1) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity EC50 = 11481.54 nM (tested by experiment) [1]
                    Tested Species Homo sapiens (Human)
                    UniProt ID FFAR1_HUMAN
            DBT Name: Free fatty acid receptor 4 (FFAR4) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity EC50 = 1318.26 nM (tested by experiment) [1]
                    Tested Species Homo sapiens (Human)
                    UniProt ID FFAR4_HUMAN
References
1 Succinct synthesis of saturated hydroxy fatty acids and in vitro evaluation of all hydroxylauric acids on FFA1, FFA4 and GPR84. Med Chem Comm. 2017; 8:1360-1365.

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