BitterDB ID=50

Cucurbitacin B

BitterDB id=50 , 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]	URL link
[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]	Glendinning JI (1994). Is the bitter rejection response always adaptive? Physiol Behav 56(6): 1217-27. PubMed 7878094

Known bitter receptors targets:

Receptor Name	Effective concentration (μM)	EC50 (μM)	References
hTas2r10	0.01	6.3	PubMed:20022913
hTas2r10	0.01	6.3	PubMed:23283334
hTas2r14	100.0		PubMed:20022913
hTas2r14	100.0		PubMed:23283334
mTas2r105	30.0		PubMed:27226572
mTas2r114	3.0		PubMed:27226572

Sensory data about the compound bitterness:

Sensory Data Type	Value	Reference
Bitter recognition EC50	0.000001 [mM]	Reference

Properties:

Mol. Weight: 558.7100 [g/mol]	AlogP(octanol-water): 3.49930
# Hydrogen Bond Donor: 3	# Hydrogen Bond Acceptor: 8
# Aromatic Rings: 0	# Rings: 4
# Rotatable Bonds: 5

Identifiers:

Formula: C32H46O8

IUPAC Systematic Name:

SMILES:

Canonical SMILES:

InChI Key: IXQKXEUSCPEQRD-ALLWXVAWSA-N

Links:

[1]	PubChem	6433476
[2]	ZINC	ZINC000004097797