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
SN00002113	CC(=O)OC[C@H](COC(=O)C)OC(=O)C	B	0.966000021
SN00002123	CC[NH+](CC)CCNC(=O)c1ccc(cc1)N	B	0.962000012
SN00002124	CC[NH+](CC)CCOC(=O)c1ccc(cc1)N	B	0.958000004
SN00002132	CC(=O)CCCCn1c(=O)c2c(ncn2C)n(c1=O)C	B	0.977999985
SN00002136	CC[C@]1(CC(=O)NC1=O)C	B	0.984000027
SN00002137	CC[C@@]1(CC(=O)NC1=O)C	B	0.984000027
SN00002138	C[N@@+](C)(C)CCCCCC[N@+](C)(C)C	B	0.995999992
SN00002183	COc1ccc(cc1OC)c1cc(=O)c2c(o1)cc(c(c2OC)OC)OC	B	0.952000022
SN00002184	COc1ccc(cc1)c1cc(=O)c2c(o1)c(c(c(c2OC)OC)OC)OC	B	0.981999993
SN00002205	C[N@@+](C)(C)CCCCCCCCCC[N@+](C)(C)C	B	0.995999992
SN00002220	C[C@@H](C)C(=O)C(=O)[O-]	B	0.958000004
SN00002243	C[N@@+](C)(C)/C=C/[O-]	B	0.987999976
SN00002244	C[N@@+](C)(C)CCO[P@@](=O)([O-])[O-]	B	0.959999979
SN00002248	CC[C@H](C)C(=O)C(=O)[O-]	B	0.958000004
SN00002259	C/C(=C\CC/C(=C/CC/C(=C/CO)C)C)C	B	0.966000021
SN00002297	C1=C(C(=O)C1=O)[O-]	B	0.995999992
SN00002300	C[C@](C)(C)C[C@](C)(C)c1ccc(cc1)OCCOCC[N@+](C)(C)Cc1ccccc1	B	0.962000012
SN00002326	c1(c(c(c(c(c1F)F)Br)F)F)F	B	0.972000003
SN00002349	CC[N@+](CC)(Cc1ccccc1)CC(=O)Nc1c(cccc1C)C	B	0.970000029
SN00002351	c1cc2c(cccc2[S@](=O)(=O)[O-])c(c1)[S@@](=O)(=O)[O-]	B	0.959999979
SN00002369	COc1cc(cc(c1OC)OC)c1cc(=O)c2c(c(c(c(c2o1)OC)OC)OC)O	B	0.953999996
SN00002439	C/C(=C\Cc1c(cc2c(c1O)c(=O)cc(o2)c1ccc(c(c1)OC)O)O)C	B	0.953999996
SN00002467	C[C@](C)(C)O	B	0.991999984
SN00002468	C[C@H](CC/C=C(\C)C)CCOC(=O)C	B	0.995999992
SN00002496	Cc1cc(nc2c1cccc2)C	B	0.967999995

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