BitterDB ID=43

Arglabin

BitterDB id=43 , 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]	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

Known bitter receptors targets:

Receptor Name	Effective concentration (μM)	EC50 (μM)	References	Sequence variant
hTas2r10	100.0		PubMed:20022913
hTas2r14	100.0		PubMed:20022913
hTas2r43	3.0		PubMed:20022913
hTas2r46	3.0		PubMed:20022913	AAM19318.1
mTas2r105	100		PubMed:27226572
mTas2r110	30		PubMed:27226572
mTas2r119	100		PubMed:27226572

Sensory data about the compound bitterness:

There is no sensory data available

Properties:

Mol. Weight: 246.3100 [g/mol]	AlogP(octanol-water): 2.37190
# Hydrogen Bond Donor: 0	# Hydrogen Bond Acceptor: 3
# Aromatic Rings: 0	# Rings: 4
# Rotatable Bonds: 0

Identifiers:

CAS Registry Number: 84692-91-1

Formula: C15H18O3

SMILES:

Canonical SMILES:

InChI Key: UVJYAKBJSGRTHA-ZCRGAIPPSA-N

Links:

[1]	PubChem	636760
[2]	ZINC	ZINC000002114142	ZINC000006634471