Details of the Drug Inactive Ingredient (DIG)

General Information of DIG (ID: E09ZXG)
DIG Name
Menthol
Synonyms    Click to Show/Hide the Synonyms of This DIG
MENTHOL; dl-Menthol; 1490-04-6; 2-Isopropyl-5-methylcyclohexanol; p-Menthan-3-ol; Cyclohexanol, 5-methyl-2-(1-methylethyl)-; 15356-70-4; 89-78-1; Racementhol; (+/-)-Menthol; 5-methyl-2-propan-2-ylcyclohexan-1-ol; Menthol [USP]; Neomenthol; rac-Menthol; 5-methyl-2-(propan-2-yl)cyclohexan-1-ol; CHEBI:25187; Menthyl alcohol; (1R,2S,5R)-Menthol; Menthol, dl-; Menthol (USP); (1S, 2S, 5R)-(+)-Neomenthol; 5-methyl-2-(propan-2-yl)cyclohexanol; DSSTox_CID_805; DSSTox_RID_78794; DSSTox_GSID_29650; Racemic menthol; FEMA No. 2665; Caswell No. 540; 3-p-Menthanol; Mentholum; Mineral ice; MFCD00001484; Cyclohexanol, 5-methyl-2-(1-methylethyl)-, [1S-(1.alpha.,2.alpha.,5.beta.)]-; Therapeutic mineral ice; 3-p-Menthol; CAS-1490-04-6; Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R,2S,5R)-rel-; CCRIS 9231; 1217765-02-0; 3-Hydroxy-p-menthane; Fisherman's friend lozenges; Robitussin Cough Drops; EINECS 216-074-4; EPA Pesticide Chemical Code 051601; (+/-)-p-Menthan-3-ol; Menthol, cis-1,3,trans-1,4-; (1S,2R,5R)-(+)-Isomenthol; 5-Methyl-2-(1-methylethyl)-cyclohexanol; AI3-08161; HSDB 593; Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1.alpha.,2.beta.,5.alpha.)-; (-)menthol; NCGC00159382-02; 3623-51-6; 3623-52-7; (-) menthol; 2-Isopropyl-5-methylcyclohexan-1-ol; 4-Isopropyl-1-methylcyclohexan-3-ol; Menthol, 99%; p-menthan-3-ol group; (+/-)-Neoisomenthol; dl-Menthol (JP17); 1-methyl-4-isopropyl-3-hydroxycyclohexane; ACMC-1BQW4; EC 216-074-4; SCHEMBL4612; Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1S,2S,5R)-; Menthol, (.+/-.)-; Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R,2R,5S)-rel-; Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R,2S,5S)-rel-; Menthol, puriss., 99.0%; CHEMBL256087; DL-Menthol, analytical standard; DTXSID8029650; AMY3077; Fisherman's friend lozenges (TN); BDBM248162; HMS3744K19; 2-Isopropyl-5-methylcyclohexanol #; BCP27552; BCP31841; CS-M3737; HY-N1369; menthol crystals; 15356-70-4; Tox21_200010; Tox21_303464; ANW-21459; BBL009325; DL-Menthol, >=95%, FCC, FG; STK802468; AKOS000119740; AKOS016843634; Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1.alpha.,2.alpha.,5.beta.)-; Menthol-d4 (mixture of diastereomers); AM81446; MCULE-3070949324; 5-methyl-2-propan-2-yl-1-cyclohexanol; Menthol 1000 microg/mL in Acetonitrile; Menthol, SAJ special grade, >=98.0%; NCGC00159382-03; NCGC00159382-04; NCGC00159382-05; NCGC00159382-06; NCGC00257403-01; NCGC00257564-01; 5-methyl-2-propan-2-yl-cyclohexan-1-ol; AK110724; AK158890; HY-75161; K601; SY004225; SY010603; VS-02042; DB-063989; Levomenthol; D-(-)-Menthol; (-)-Menthol; CS-0016777; FT-0600039; FT-0604399; FT-0604426; FT-0604430; FT-0620596; FT-0625488; FT-0695077; FT-0695078; FT-0695079; H2461; M0321; (+/-)-Menthol, racemic, >=98.0% (GC); 2-Isopropy-5-methylcyclohexanol-1,2,6,6-d4; D04849; D04918; (1S,2R,5R)-2-isopropyl-5-methyl-cyclohexanol; A808833; J-500418; 2-$l^{1}-oxidanyl-4-methyl-1-propan-2-ylcyclohexane; Q27109870; Z1258992394; Menthol-plus it inverted exclamation markas 3 isomers-1,2,6,6-d4; Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1.alpha.,2.beta.,5.alpha.)-(.+/-.)-; Cyclohexanol, 5-methyl-2-(1-methylethyl)-, [1R-(1.alpha.,2.alpha.,5.beta.)]-; Cyclohexanol, 5-methyl-2-(1-methylethyl)-, [1S-(1.alpha.,2.beta.,5.beta.)]-; L-Menthol; (-)-Menthol; Levomenthol; Menthomenthol;2-isopropyl-5-methyl-cyclohexanol;Menthol; Menthol solution, NMR reference standard, 30 wt. % in chloroform-d (99.8 atom % D), NMR tube size 5 mm x 8 in.; Menthol solution, NMR reference standard, 50% in chloroform-d (99.8 atom % D), chromium(III) acetylacetonate 0.5 %, NMR tube size 5 mm x 8 in.
DIG Function
Flavoring agent
PubChem CID
1254
Formula
C10H20O
Canonical SMILES
CC1CCC(C(C1)O)C(C)C
InChI
1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3
InChIKey
NOOLISFMXDJSKH-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=1254"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 156.26 Topological Polar Surface Area 20.2
XlogP 3 Complexity 120
Heavy Atom Count 11 Rotatable Bond Count 1
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 1
Full List of Active Pharmaceutical Ingredients (APIs) Co-administrated with This DIG
       ICD Disease Classification 06 Mental/behavioural/neurodevelopmental disorder Click to Show/Hide
Risperidone
 API Info
Schizophrenia [ICD-11: 6A20]
 [1]
       ICD Disease Classification 08 Nervous system disease Click to Show/Hide
Acetaminophen
 API Info
Anaesthesia [ICD-11: 8E22]
 [2]
Rizatriptan
 API Info
Migraine [ICD-11: 8A80]
 [3]
       ICD Disease Classification 11 Circulatory system disease Click to Show/Hide
Nifedipine
 API Info
Angina pectoris [ICD-11: BA40]
 [4]
       ICD Disease Classification 13 Digestive system disease Click to Show/Hide
Omeprazole
 API Info
Gastro-oesophageal reflux disease [ICD-11: DA22]
 [5]
Full List of Biological Targets of DIG (DBTs) Regulated by This DIG
      Transmembrane channel/porin (TC/P)
            DBT Name: Wasabi receptor (TRPA1) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment (1) for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity EC50 = 30000 nM (tested by experiment) [6]
                    Tested Species Homo sapiens (Human)
                    UniProt ID TRPA1_HUMAN
               Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity EC50 = 56000 nM (tested by experiment) [7]
                    Tested Species Mus musculus (Mouse)
                    UniProt ID TRPA1_MOUSE
            DBT Name: Transient receptor potential p8 (TRPM8) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment (1) for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity EC50 = 3000 nM (tested by experiment) [8]
                    Tested Species Homo sapiens (Human)
                    UniProt ID TRPM8_HUMAN
               Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity EC50 = 75000 nM (tested by experiment) [9]
                    Tested Species Rattus norvegicus (Rat)
                    UniProt ID TRPM8_RAT
References
1 FDA label for approved risperidone from the official website of the U.S. Food and Drug Administration.
2 FDA label for approved acetaminophen from the official website of the U.S. Food and Drug Administration.
3 FDA label for approved rizatriptan from the official website of the U.S. Food and Drug Administration.
4 FDA label for approved nifedipine from the official website of the U.S. Food and Drug Administration.
5 FDA label for approved omeprazole from the official website of the U.S. Food and Drug Administration.
6 N-Cinnamoylanthranilates as human TRPA1 modulators: Structure-activity relationships and channel binding sites. Eur J Med Chem. 2019 May 15; 170:141-156.
7 Transient receptor potential ankyrin 1 (TRPA1) channel as emerging target for novel analgesics and anti-inflammatory agents. J Med Chem. 2010 Jul 22; 53(14):5085-107.
8 Serendipity in drug-discovery: a new series of 2-(benzyloxy)benzamides as TRPM8 antagonists. Bioorg Med Chem Lett. 2013 Nov 15; 23(22):6118-22.
9 Tryptamine-Based Derivatives as Transient Receptor Potential Melastatin Type 8 (TRPM8) Channel Modulators. J Med Chem. 2016 Mar 10; 59(5):2179-91.

If you find any error in data or bug in web service, please kindly report it to Dr. Zhang and Dr. Mou.