Details of the Drug Inactive Ingredient (DIG)

General Information of DIG (ID: E0F7XM)
DIG Name
Alpha-terpineol
Synonyms    Click to Show/Hide the Synonyms of This DIG
alpha-TERPINEOL; Terpineol; 98-55-5; 2-(4-methylcyclohex-3-en-1-yl)propan-2-ol; p-Menth-1-en-8-ol; dl-alpha-Terpineol; 1-p-Menthen-8-ol; 8000-41-7; Terpineol 350; 1-Menthene-8-ol; CARVOMENTHENOL; .alpha.-Terpineol; TERPINEOLS; alpha,alpha,4-Trimethyl-3-cyclohexene-1-methanol; 1-Methyl-4-isopropyl-1-cyclohexen-8-ol; 2-(4-Methyl-3-cyclohexenyl)-2-propanol; Terpineol schlechthin; MFCD00001557; Terpenol; alpha-Terpinenol; 1-Methyl-4-isopropyl-1-cyclohexene-8-ol; MFCD00166983; 3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-; CHEBI:22469; 1-alpha-terpineol; (S)-alpha-terpineol; 8006-39-1; NCGC00164431-01; 2-(4-methylcyclohex-3-enyl)propan-2-ol; alpha-Terpineol, 97+%; NSC 21449; PC 593; DSSTox_CID_6625; DSSTox_RID_79596; DSSTox_GSID_40775; Terpilenol, alpha-; Terpene alcohol; a-Terpineol; FEMA Number 3045; alpha-Terpineol, analytical standard; alpha-Terpineol (natural); Menth-1-en-8-ol; CAS-8000-41-7; FEMA No. 3045; CCRIS 3204; 3-Cyclohexene-1-methanol,.alpha.4-trimethyl-; Caswell No. 823; HSDB 5316; Mixture of p-methenols; 68797-63-7; EINECS 202-680-6; EINECS 219-448-5; 3-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-; BRN 1906604; alpha-Terpineol, 97%, mixture of alpha- and gamma-terpineol; AI3-00275; Terpineol Normal; DL a-terpineol; EINECS 232-268-1; (+)--Terpineol; EPA Pesticide Chemical Code 067005; 1-.alpha.-Terpineol; TERPINEOL OR; TERPINEOL, ALPHA; d-1-p-Menthen-8-ol; Terpineol, mixed isomers; Monocyclic terpenealcohols; (+)-.alpha.-Terpineol; 3-Cyclohexene-1-methanol, .alpha.,.alpha.4-trimethyl-; EC 202-680-6; EC 232-268-1; alpha-Terpineol, AldrichCPR; DSSTox_RID_78167; DSSTox_GSID_26625; SCHEMBL28466; 3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, (1R)-; 3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, (1S)-; 3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, (S)-; (1)-alpha,alpha,4-Trimethylcyclohex-3-ene-1-methanol; CHEMBL449810; DTXSID5026625; 203633-12-9; HY-N5142; NSC21449; Tox21_112118; Tox21_200112; Tox21_302298; c0669; NSC-21449; NSC403665; SBB061191; 3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, sodium salt, (1S)-; AKOS015840815; alpha-Terpineol, 90%, technical grade; MCULE-9798755896; NSC-403665; CAS-98-55-5; NCGC00248528-01; NCGC00255464-01; NCGC00257666-01; AK122298; AK608361; DB-059206; alpha-Terpineol 1000 microg/mL in n-Hexane; CS-0032554; FT-0622202; FT-0627680; FT-0698995; FT-0772029; ST50824481; V0385; 2-(4-methyl-1-cyclohex-3-enyl)-propan-2-ol; C16772; (1R)-a,a,4-trimethyl-3-cyclohexene-1-methanol; SR-01000944873; J-500272; SR-01000944873-1; W-100076; Q27109437; F0001-2319; alpha-Terpineol, primary pharmaceutical reference standard; 3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, sodium salt (1:1), (1S)-; 22347-88-2
DIG Function
Antioxidant; Flavoring agent; Solvent
PubChem CID
17100
Formula
C10H18O
Canonical SMILES
CC1=CCC(CC1)C(C)(C)O
InChI
1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3
InChIKey
WUOACPNHFRMFPN-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=17100"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 154.25 Topological Polar Surface Area 20.2
XlogP 1.8 Complexity 168
Heavy Atom Count 11 Rotatable Bond Count 1
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 1
Full List of Biological Targets of DIG (DBTs) Regulated by This DIG
      Cell line (CELL)
            DBT Name: Leukemia AML cells (AML193) 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 = 14000 nM (estimated based on the structural similarity with CHEMBL1096927 ) [1]
                    Structural Similarity Tanimoto coefficient = 0.978723404
                    Tested Species Homo sapiens (Human)
                    Cellosaurus ID CVCL_1071
References
1 Medicinal properties of terpenes found in Cannabis sativa and Humulus lupulus. Eur J Med Chem. 2018 Sep 5; 157:198-228.

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