BitterDB ID=650

Nicotine

BitterDB id=650
Detailed experimental validation described in the associated resource.

References for the compound bitterness

	Resource	Comment
[1]	Rodgers S, Glen RC, Bender A (None). Characterizing bitterness: identification of key structural features and development of a classification model. J Chem Inf Model 46(2): 569-76. PubMed 16562985
[2]	Lang T. et al. Activation Profile of TAS2R2, the 26th Human Bitter Taste Receptor, Molecular Nutrition & Food Research, 2023, 67(11) PubMed 36929150
[3]	Kumar P. Bitter taste receptors of the zebra finch (Taeniopygia guttata), Frontiers in Physiology, 2023, 4, 14, 1233711 PubMed 37860623
[4]	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	did not activate any of the taste receptor till concentration of 0.1 mM,
[5]	Guinard JX, Hong DY, Zoumas-Morse C, Budwig C, Russell GF (1994). Chemoreception and perception of the bitterness of isohumulones. Physiol Behav 56(6): 1257-63. PubMed 7878099
[6]	URL link	bitter tasting alkaolid from nightshades palnts predomenintaly in tabcoo

Known bitter receptors targets:

Receptor Name	Effective concentration (μM)	EC50 (μM)	References
ggTas2r1	30.0		PubMed:25180257

Sensory data about the compound bitterness:

Sensory Data Type	Value	Reference
Bitter recognition threshold	0.019 [mM]	Reference

Properties:

Mol. Weight: 162.2400 [g/mol]	AlogP(octanol-water): 1.84830
# Hydrogen Bond Donor: 0	# Hydrogen Bond Acceptor: 2
# Aromatic Rings: 1	# Rings: 2
# Rotatable Bonds: 1
Rat Acute Oral LD50: 50 [mg/kg B.W.]

Identifiers:

CAS Registry Number: 54-11-5,551-13-3

Formula: C10H14N2

IUPAC Systematic Name:

SMILES:

Canonical SMILES:

InChI Key: SNICXCGAKADSCV-JTQLQIEISA-N

Links:

[1]	PubChem	89594
[2]	ZINC	ZINC000000001798	ZINC000000391812
[3]	DrugBank	DB00184