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
SN00117477	c1cc(ccc1C=O)O	B	0.970000029
SN00117480	C[C@@H]([C@@](c1ccccc1)(c1ccccc1)O)O	B	0.958000004
SN00117496	COc1cc(cc(c1OC)OC)N	B	0.952000022
SN00117504	c1ccc2c(c1)c(=O)c2=O	B	0.981999993
SN00117512	c1ccn2c(c1)ncc2Br	B	0.95599997
SN00117524	CN1C[C@H](C(=O)NC1=O)Br	B	0.95599997
SN00117525	CN1C[C@@H](C(=O)NC1=O)Br	B	0.95599997
SN00117550	Cn1ccc(=O)n(c1=O)C	B	0.991999984
SN00117559	c1ccc(cc1)C[C@@H](c1ccccc1)C(=O)[O-]	B	0.980000019
SN00117560	c1ccc(cc1)C[C@H](c1ccccc1)C(=O)[O-]	B	0.980000019
SN00117587	Cn1c2ccccc2c(c1Cl)C=O	B	0.967999995
SN00117636	c1ccc(cc1)Cn1ccccc1=O	B	0.976000011
SN00117732	CC[C@]1(C(=O)N(C(=O)N(C1=S)C)C)CC	B	0.986000001
SN00117739	CC[C@@]1(C(=O)NC(=O)N=C1SC)CC	B	0.970000029
SN00117743	c1ccc(cc1)NN1C(=O)C=CC1=O	B	0.959999979
SN00117832	Cc1c(=O)c(c(oc1c1ccccc1)c1ccccc1)C	B	0.984000027
SN00117850	CC1=C(NC(=O)CC1)c1ccccc1	B	0.958000004
SN00117868	c1ccc(cc1)[C@H](C(=O)c1ccccc1)O	B	0.972000003
SN00117881	c1ccc(c(c1)C(=O)Nc1ccccn1)Cl	B	0.963999987
SN00117909	Cc1cc(=O)n(c(=O)n1C)C	B	0.977999985
SN00117960	C[C@@](C)(C)NC(=O)c1ccccc1	B	0.977999985
SN00118065	CC[C@@H](c1ccccc1)C(=O)[O-]	B	0.953999996
SN00118066	CC[C@H](c1ccccc1)C(=O)[O-]	B	0.953999996
SN00118073	Cc1c(c(=O)n(n1C)c1ccccc1)NC(=O)[C@@](F)(F)F	B	0.958000004
SN00118100	c1ccc(cc1)N1CCC(=N1)Cl	B	0.958000004

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