BETA-CARYOPHYLLENE

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Synonyms
Status
Molecule Category Free-form
UNII BHW853AU9H
EPA CompTox DTXSID8024739

Structure

InChI Key NPNUFJAVOOONJE-GFUGXAQUSA-N
Smiles C=C1CC/C=C(\C)CC[C@@H]2[C@@H]1CC2(C)C
InChI
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H24
Molecular Weight 204.36
AlogP 4.73
Heavy Atoms 15.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Lipid-like ligand receptor (family A GPCR) Cannabinoid receptor
- - - 150 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 88.67-99.94
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 88.67-99.94
Homo sapiens
- - - 150 -

Cross References

Resources Reference
CAS NUMBER 87-44-5
ChEBI 10357
ChEMBL CHEMBL445740
FDA SRS BHW853AU9H
Human Metabolome Database HMDB0036792
KEGG C09629
SureChEMBL SCHEMBL113830
ZINC ZINC000008234282
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