Anethole
Star1
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Summary
Anethole is an excipient added to medications for flavouring.
- Generic Name
- Anethole
- DrugBank Accession Number
- DB15916
- Background
Not Available
- Type
- Small Molecule
- Groups
- Approved, Experimental
- Structure
- Weight
- Average: 148.205
Monoisotopic: 148.088815006 - Chemical Formula
- C10H12O
- Synonyms
- (E)-Anethole
- Anise camphor
- Isoestragole
- trans-Anethole
- External IDs
- 224-052-0
- FEMA NO. 2086
- NSC-209529
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
- Not Available
- Absorption
Not Available
- Volume of distribution
Not Available
- Protein binding
Not Available
- Metabolism
- Not Available
- Route of elimination
Not Available
- Half-life
Not Available
- Clearance
Not Available
- Adverse Effects
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.Not Available
- Food Interactions
- Not Available
Products
- Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.
- Mixture Products
Name Ingredients Dosage Route Labeller Marketing Start Marketing End Region Image Beech Nut Menthol Cough Drop Anethole (1.3 mg / loz) + Eucalyptus oil (0.97 mg / loz) + Levomenthol (5.1 mg / loz) Lozenge Oral Beta Brands Limited 1997-10-20 2005-05-16 Canada Beech-nut Menthol Cough Drops Anethole (1.3 mg / loz) + Eucalyptus oil (.97 mg / loz) + Levomenthol (5.1 mg / loz) Lozenge Oral Life Savers Canada, Division Of Hershey Canada Inc. 1979-12-31 1997-04-24 Canada Bentasil Cherry Anethole (2 mg / loz) + Levomenthol (3 mg / loz) Lozenge Oral Carter Horner Corp. 1998-07-20 2005-03-21 Canada Bentasil Green Anethole (0.01 %) + Eucalyptol (0.03 %) + Levomenthol (0.13 %) Lozenge Oral Carter Horner Corp. 1987-12-31 2004-07-09 Canada Bentasil Honey-lemon Anethole (2.2 mg / loz) + Levomenthol (1.3 mg / loz) Lozenge Oral Carter Horner Corp. 1998-07-20 2005-03-21 Canada
Categories
- Drug Categories
- Alkenes
- Allyl Compounds
- Benzene Derivatives
- Compounds used in a research, industrial, or household setting
- Diet, Food, and Nutrition
- Ethers
- Flavoring Agents
- Food
- Food Additives
- Food Ingredients
- Hydrocarbons, Acyclic
- Methyl Ethers
- Pharmaceutic Aids
- Pharmaceutical Preparations
- Phenols
- Phenyl Ethers
- Physiological Phenomena
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- Q3JEK5DO4K
- CAS number
- 4180-23-8
- InChI Key
- RUVINXPYWBROJD-ONEGZZNKSA-N
- InChI
- InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3+
- IUPAC Name
- 1-methoxy-4-[(1E)-prop-1-en-1-yl]benzene
- SMILES
- COC1=CC=C(\C=C\C)C=C1
References
- General References
- FDA Thailand: Rowatinex (Anethole, Borneol, Camphene, Eucalyptol, Fenchone, Alpha-Pinene, Beta-Pinene) Capsule [Link]
- External Links
- KEGG Compound
- C10428
- ChemSpider
- 553166
- 17881
- ChEBI
- 35616
- ChEMBL
- CHEMBL452630
- ZINC
- ZINC000000967630
- Wikipedia
- Anethole
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Lozenge Oral Capsule, gelatin coated Oral Capsule - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.177 mg/mL ALOGPS logP 3.4 ALOGPS logP 2.94 Chemaxon logS -2.9 ALOGPS pKa (Strongest Basic) -4.8 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 1 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 9.23 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 47.88 m3·mol-1 Chemaxon Polarizability 17.46 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-00xr-0900000000-59a6f461c4940b5c7f2a Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0002-0900000000-6ad5e2ad8e33c049deff Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0006-8900000000-e5614dfbb019735a7eaf Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-014j-0900000000-919404305d6feca3f970 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0gc0-5900000000-809958ee995534118803 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-004l-9200000000-7b7ab8c8db7ab510db1b Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 139.8821945 predictedDarkChem Lite v0.1.0 [M-H]- 140.0553945 predictedDarkChem Lite v0.1.0 [M-H]- 139.8689945 predictedDarkChem Lite v0.1.0 [M-H]- 134.02916 predictedDeepCCS 1.0 (2019) [M+H]+ 140.9001945 predictedDarkChem Lite v0.1.0 [M+H]+ 140.8024945 predictedDarkChem Lite v0.1.0 [M+H]+ 140.8745945 predictedDarkChem Lite v0.1.0 [M+H]+ 137.55885 predictedDeepCCS 1.0 (2019) [M+Na]+ 140.0240945 predictedDarkChem Lite v0.1.0 [M+Na]+ 140.0139945 predictedDarkChem Lite v0.1.0 [M+Na]+ 146.86212 predictedDeepCCS 1.0 (2019)
Drug created at November 23, 2020 14:21 / Updated at May 07, 2021 21:08