VirtualTaste

Natural Compounds

The taste of a selection of natural compounds was predicted using our taste prediction models. This dataset includes compounds that were predicted to either have a sweet (S) or bitter (B) taste. All of these compounds can be found in the Supernatural II Database and can be accessed through the Supernatural ID links.

Supernatural ID	SMILES	Taste	Confidence
SN00136241	Cc1c(c(c(c(c1I)C)C)I)C	B	0.967999995
SN00136298	COc1c(c(c(c(c1CBr)CBr)OC)CBr)CBr	B	0.972000003
SN00136304	C(/C=C(/CBr)CBr)Br	B	0.972000003
SN00136308	CCCCCCCCN1C(=O)c2cc3c(cc2C1=O)c(c1cc2c(cc1c3OC)C(=O)N(C2=O)CCCCCCCC)OC	B	0.967999995
SN00136564	C[C@@H](CCCC(=C)C)CCBr	B	0.952000022
SN00136565	C[C@H](CCCC(=C)C)CCBr	B	0.952000022
SN00136568	C[C@H](c1ccccc1)[C@@H](C)c1ccccc1	B	0.987999976
SN00136622	CCCCCCCCCCCCN1C[C@@H](OCC1=O)C	B	0.953999996
SN00136623	CCCCCCCCCCCCN1C[C@H](OCC1=O)C	B	0.953999996
SN00136667	c1cc2c(cc1)C=Cc1c(cccc1)C=C2	B	0.958000004
SN00136844	Cc1c2c(c(c3c1CC3)C)CC2	B	0.977999985
SN00136863	Cc1cc(c2c(c1C)CC2)C	B	0.967999995
SN00136902	Cc1c(c(c(c(c1CBr)CBr)CBr)CBr)C	B	0.962000012
SN00137095	c1cnccc1C(=O)ON1C(=O)CCC1=O	B	0.963999987
SN00137105	c1ccc(cc1)CON[P@](=O)(Cl)Cl	B	0.959999979
SN00137120	Cc1ccc2c(c1C)ccc1c2ccc(c1C)C	B	0.981999993
SN00137142	C1CC\1=C/1CC1	B	0.962000012
SN00137162	C[C@]1(C(=O)OOC1=O)C	B	0.976000011
SN00137231	CCOC(=O)CSc1ncc(n1C)C(=O)OC	B	0.953999996
SN00137451	c1ccc(cc1)CN(c1ccccc1)NC(=O)[C@@](F)(F)F	B	0.962000012
SN00137725	CNc1nc(nc(n1)[C@]([C@@](F)(F)F)([C@](F)(F)F)[C@](F)(F)F)[C@]([C@](F)(F)F)([C@@](F)(F)F)[C@](F)(F)F	B	0.963999987
SN00137733	C[C@H](C)Nc1nc(nc(n1)[C@]([C@@](F)(F)F)([C@](F)(F)F)[C@](F)(F)F)[C@]([C@](F)(F)F)([C@@](F)(F)F)[C@](F)(F)F	B	0.967999995
SN00137922	C[C@@](C(=O)N(Cc1ccccc1)Cc1ccccc1)([C@@](F)(F)F)[C@](F)(F)F	B	0.963999987
SN00137941	CC[C@]([C@](F)(F)F)([C@](F)(F)F)NC(=O)O[C@H](C)C	B	0.952000022
SN00137945	CC[C@@H](C)OC(=O)N[C@](CC)([C@](F)(F)F)[C@](F)(F)F	B	0.953999996

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