BitterDB ID=51

Falcarindiol

BitterDB id=51 , Natural
Detailed experimental validation described in the associated resource.

References for the compound bitterness

	Resource	Comment
[1]	Meyerhof W, Batram C, Kuhn C, Brockhoff A, Chudoba E, et al. (2010). The molecular receptive ranges of human TAS2R bitter taste receptors. Chem Senses 35(2): 157-70. PubMed 20022913
[2]	URL link
[3]	Schmiech L. Reinvestigation of the Bitter Compounds in Carrots (Daucus carotaÂ L.) by Using a Molecular Sensory Science Approach, Journal of Agricultural and Food Chemistry,Â 2008Â 56,Â (21), 10252-10260 PubMed 18922011
[4]	Roland W. S. U. et al. Soy Isoflavones and Other Isoflavonoids Activate the Human Bitter Taste Receptors hTAS2R14 and hTAS2R39, Journal of Agricultural and Food Chemistry, 2011, 59 (21), 11764-11771 PubMed 21942422
[5]	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
hTas2r14	100.0		PubMed:20022913
hTas2r43	100.0		PubMed:20022913
mTas2r105	10.0		PubMed:27226572

Sensory data about the compound bitterness:

Sensory Data Type	Value	Reference
Bitter recognition threshold	0.04 [mM]	Reference
Bitter recognition threshold	0.04 [mM]	Reference

Properties:

Mol. Weight: 260.3800 [g/mol]	AlogP(octanol-water): 2.81770
# Hydrogen Bond Donor: 2	# Hydrogen Bond Acceptor: 2
# Aromatic Rings: 0	# Rings: 0
# Rotatable Bonds: 8

Identifiers:

CAS Registry Number: 55297-87-5

Formula: C17H24O2

IUPAC Systematic Name:

SMILES:

Canonical SMILES:

InChI Key: QWCNQXNAFCBLLV-RCQSYPNMSA-N

Links:

[1]	PubChem	6436239
[2]	ZINC	ZINC000002008885	ZINC000008214562	ZINC000038143543