Details of the Drug Inactive Ingredient (DIG)

General Information of DIG (ID: E0JW9W)
DIG Name
Eucalyptol
Synonyms    Click to Show/Hide the Synonyms of This DIG
Eucalyptol; cineole; 1,8-Cineole; 470-82-6; 1,8-Cineol; Cajeputol; Zineol; 1,8-Epoxy-p-menthane; Eucalyptole; Eucapur; 1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane; Terpan; p-Cineole; 1,8-Oxido-p-menthane; Eukalyptol; CINEOL; Cucalyptol; Soledum; EUCALYPTUS OIL; Eukalyptol [Czech]; Eucalyptol (natural); Zedoary oil; 2-Oxabicyclo[2.2.2]octane, 1,3,3-trimethyl-; p-Menthane, 1,8-epoxy-; FEMA No. 2465; Cineole (VAN); NCI-C56575; UNII-RV6J6604TK; 2-Oxabicyclo(2.2.2)octane, 1,3,3-trimethyl-; NSC 6171; MFCD00167977; 1,3,3-Trimethyl-2-oxabicyclo(2.2.2)octane; 2-Oxa-1,3,3-trimethylbicyclo(2.2.2)octane; Cineole (Eucalyptol); NSC6171; NSC-6171; 2,2,4-trimethyl-3-oxabicyclo[2.2.2]octane; 2-Oxa-1,3,3-trimethylbicyclo[2.2.2]octane; 8000-48-4; RV6J6604TK; CNL; 4,7,7-trimethyl-8-oxabicyclo[2.2.2]octane; CHEBI:27961; NCGC00091666-01; NCGC00091666-04; DSSTox_CID_616; 1,8-Cineole, 99%; DSSTox_RID_75692; DSSTox_GSID_20616; (1s,4s)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane; Eucalyptol 1000 microg/mL in Methanol; CAS-470-82-6; SMR000471853; CCRIS 3727; HSDB 991; Eucalyptol [USAN:USP]; EINECS 207-431-5; Terpane; Cyneol; BIDD:ER0481; AI3-00578; Eucalyptol,(S); Eucalyptol (USP); 1.8-cineole; Eucalyptol, 99%; Eucalyptol, Ph Helv; 1216822-66-0; p-Menthane,8-epoxy-; cineole (1,8-); 1,8-cineol derivatives; WLN: T66 A B AOTJ B1 B1 F1; 1,8-Cineol-[d3]; Spectrum2_000221; Spectrum3_000683; Spectrum4_001747; Spectrum5_000704; bmse000523; EC 207-431-5; SCHEMBL19622; SCHEMBL41020; BSPBio_002405; KBioGR_002194; MLS001050089; MLS001066338; DivK1c_000333; SPECTRUM1500294; SPBio_000261; Eucalyptol, analytical standard; CHEMBL485259; GTPL2464; CHEMBL1231862; CHEMBL1397305; DTXSID4020616; SCHEMBL13554591; SCHEMBL17836873; HMS501A15; KBio1_000333; KBio3_001625; NINDS_000333; HMS2271P04; Pharmakon1600-01500294; ZINC967566; HY-N0066; Tox21_111161; Tox21_202090; Tox21_302902; 5750AF; BDBM50459887; CCG-36080; NSC760388; SBB057535; Acylated oxime isatin derivative, 19; AKOS015903223; AKOS016034339; AKOS037514637; Tox21_111161_1; CCG-266254; CS-8146; DB03852; LMPR0102090019; NSC-760388; IDI1_000333; Eucalyptol, tested according to Ph.Eur.; NCGC00091666-02; NCGC00091666-03; NCGC00091666-05; NCGC00095774-01; NCGC00178671-01; NCGC00256479-01; NCGC00259639-01; AC-20234; Eucalyptol, natural, >=99%, FCC, FG; LS-13868; NCI60_005108; ST096004; 1,3-Trimethyl-2-oxabicyclo[2.2.2]octane; 2-Oxa-1,3-trimethylbicyclo[2.2.2]octane; DB-070775; 2-Oxabicyclo[2.2.2]octane,3,3-trimethyl-; FT-0607033; FT-0626369; 1,3,3-trimethyl-2-oxabicyclo[2,2,2]octane; A15662; A19469; C09844; D04115; AB01563262_01; Q161572; SR-01000763816; SR-01000763816-2; W-106080; 1,8-Cineole, primary pharmaceutical reference standard; Cineole, European Pharmacopoeia (EP) Reference Standard; Eucalyptol, certified reference material, TraceCERT(R); F0001-1260; Eucalyptol, United States Pharmacopeia (USP) Reference Standard; Eucalyptol (cineole), Pharmaceutical Secondary Standard; Certified Reference Material
DIG Function
Flavoring agent
PubChem CID
2758
Formula
C10H18O
Canonical SMILES
CC1(C2CCC(O1)(CC2)C)C
InChI
1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3
InChIKey
WEEGYLXZBRQIMU-UHFFFAOYSA-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=2758"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 154.25 Topological Polar Surface Area 9.2
XlogP 2.5 Complexity 164
Heavy Atom Count 11 Rotatable Bond Count 0
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 1
Full List of Biological Targets of DIG (DBTs) Regulated by This DIG
      G-protein coupled receptor (GPCR)
            DBT Name: Serotonin receptor 3A (5HT3A) 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 IC50 = 257039.58 nM (tested by experiment) [1]
                    Tested Species Homo sapiens (Human)
                    UniProt ID 5HT3A_HUMAN
References
1 Progress in the discovery of small molecule modulators of the Cys-loop superfamily receptors. Bioorg Med Chem Lett. 2017 Aug 1; 27(15):3207-3218.

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