BitterDB ID=1787

Kahweol

BitterDB id=1787
Detailed experimental validation described in the associated resource.

References for the compound bitterness

	Resource	Comment
[1]	Lang T. et al. Numerous Compounds Orchestrate Coffeeâ€™s Bitterness, Journal of Agricultural and Food Chemistry, 2020, 68 (24), 6692-6700 PubMed 32437139
[2]	Yan J. and Tong H. An overview of bitter compounds in foodstuffs: Classifications, evaluation methods for sensory contribution, separation and identification techniques, and mechanism of bitter taste transduction, Comprehensive Reviews in Food Science and Food Safety, 2023, 22(1), PubMed 36382875

Known bitter receptors targets:

Receptor Name	Effective concentration (μM)	EC50 (μM)	References
hTas2r43			PubMed:32437139
hTas2r46			PubMed:32437139

Sensory data about the compound bitterness:

Sensory Data Type	Value	Reference
Bitter recognition threshold	0.055 [mM]	Reference

Properties:

Mol. Weight: 314.4186 [g/mol]	AlogP(octanol-water): 2.48840
# Hydrogen Bond Donor: 2	# Hydrogen Bond Acceptor: 3
# Aromatic Rings: 1	# Rings: 5
# Rotatable Bonds: 1

Identifiers:

Formula: C20H26O3

IUPAC Systematic Name:

SMILES:

Canonical SMILES:

InChI Key: JEKMKNDURXDJAD-HWUKTEKMSA-N

Links:

[1]	PubChem	114778
[2]	ZINC	ZINC000006032238