Details of the Drug Inactive Ingredient (DIG)

General Information of DIG (ID: E0BT1Y)
DIG Name
Caryophyllene
Synonyms    Click to Show/Hide the Synonyms of This DIG
BETA-CARYOPHYLLENE; Caryophyllene; (-)-trans-Caryophyllene; 87-44-5; L-Caryophyllene; (-)-beta-caryophyllene; trans-Caryophyllene; (E)-Caryophyllene; (E)-beta-caryophyllene; b-caryophyllene; trans-beta-caryophyllene; Beta-Caryophylene; (-)-Caryophyllene; .beta.-Caryophyllen; .beta.-Caryophyllene; CHEBI:10357; (E)-beta-caryophylene; .beta.-(E)-Caryophyllene; beta-Caryophyllen; (1R,4E,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene; MFCD00075925; UNII-BHW853AU9H; g-Caryophyllene; (1R,9S,E)-4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene; (1S,9R)-6,10,10-trimethyl-2-methylenebicyclo[7.2.0]undec-5-ene; NSC 11906; E-.beta.-caryophyllene; BHW853AU9H; .beta.-Caryophyllene, (-); Tincturoid; NSC11906; Caryophyllene B; beta-cariofillene; (1R,4E,9S)-4,11,11-trimethyl-8-methylene-bicyclo[7.2.0]undec-4-ene; beta-caryophillene; Bicyclo(7.2.0)undec-4-ene, 8-methylene-4,11,11-trimethyl-, (E)-(1R,9S)-(-)-; Bicyclo[7.2.0]undec-4-ene, 8-methylene-4,11,11-trimethyl-, (E)-(1R,9S)-(-)-; Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, [1R-(1R*,4E,9S*)]-; E-beta-caryophyllene; Caryophyllene, (E); beta-(e)-caryophyllene; beta-trans-caryophyllene; (-)- -caryophyllene; (-)-(E)-Caryophyllene; DSSTox_CID_4739; .beta.-trans-Caryophyllene; trans-.beta.-Caryophyllene; (-)-I(2)-caryophyllene; DSSTox_RID_77517; DSSTox_GSID_24739; 8-Methylene-4,11,11-(trimethyl)bicyclo[7.2.0]undec-4-ene; CHEMBL445740; DTXSID8024739; HY-N1415; ZINC8234282; Tox21_301497; BDBM50529607; s6058; (1R,4E,9S)-4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene; AKOS024283988; trans-(1R,9S)-8-Methylene-4,11,11-trimethylbicyclo[7.2.0]undec-4-ene; LMPR0103120001; beta-Caryophyllene, >=80%, FCC, FG; CAS-87-44-5; NCGC00142620-01; NCGC00255159-01; ST072181; (-)-trans-Caryophyllene, analytical standard; CS-0016839; V0915; C09629; Q421614; W-109317; UNII-K4H93P747O component NPNUFJAVOOONJE-GFUGXAQUSA-N; (-)-trans-Caryophyllene, >=98.5% (sum of enantiomers, GC); trans-(1R,9S)-4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene; 8-Methylene-4,11,11-(trimethyl)bicyclo(7.2.0)undec-4-ene, (1R,4E,9S)-; Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, (E)-(1R,9S)-(-)-; Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, [1R- (1R*,4E,9S*)]-
DIG Function
Flavoring agent
PubChem CID
5281515
Formula
C15H24
Canonical SMILES
C/C/1=C\\CCC(=C)[C@H]2CC([C@@H]2CC1)(C)C
InChI
1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+/t13-,14-/m1/s1
InChIKey
NPNUFJAVOOONJE-GFUGXAQUSA-N
   Click to Show/Hide the Molecular Data (Structure/Property) of This DIG
Structure
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3D MOL 2D MOL
Physicochemical Properties Molecular Weight 204.35 Topological Polar Surface Area 0
XlogP 4.4 Complexity 293
Heavy Atom Count 15 Rotatable Bond Count 0
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 0
Full List of Active Pharmaceutical Ingredients (APIs) Co-administrated with This DIG
       ICD Disease Classification 06 Mental/behavioural/neurodevelopmental disorder Click to Show/Hide
Mirtazapine
 API Info
Major depressive disorder [ICD-11: 6A70]
 [1]
Full List of Biological Targets of DIG (DBTs) Regulated by This DIG
      G-protein coupled receptor (GPCR)
            DBT Name: Cannabinoid CB2 receptor (CNR2) 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 Ki = 150 nM (tested by experiment) [2]
                    Tested Species Homo sapiens (Human)
                    UniProt ID CNR2_HUMAN
References
1 FDA label for approved mirtazapine from the official website of the U.S. Food and Drug Administration.
2 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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