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
SN00003146	COc1cc(cc(c1OC)OC)c1cc(=O)c2c(o1)cc(c(c2OC)OC)OC	B	0.976000011
SN00003152	COc1cc2c(c(=O)cc(o2)c2ccccc2)c(c1OC)O	B	0.959999979
SN00003265	CC[C@@H]([C@H](CC)C(=O)[O-])C(=O)[O-]	B	0.95599997
SN00003317	COc1c(cc2c(c1O)c(=O)c(c(o2)c1ccc(cc1)O)O)O	B	0.963999987
SN00003320	C=C[C@](F)(F)Br	B	0.962000012
SN00003345	Cc1cc(n(n1)C(=O)c1ccccc1)C	B	0.95599997
SN00003347	CC(=O)OCC[N@+](C)(C)C	B	0.986000001
SN00003350	C[N@@+](C)(C)CCOC(=O)N	B	0.952000022
SN00003372	C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)c1ccccc1)[C@H](C)C	B	0.963999987
SN00003389	COc1cc(cc(c1OC)OC)c1coc2cc(c(c(c2c1=O)OC)OC)OC	B	0.959999979
SN00003406	C[C@H](COc1ccccc1)[NH2+][C@H](C)[C@@H](c1ccc(cc1)O)O	B	0.952000022
SN00003416	c1ccc(cc1)c1cc(=O)c2c(o1)ccc(c2O)O	B	0.953999996
SN00003422	Cc1c(c(=O)c2c(cc(c(c2o1)OC)OC)OC)c1ccccc1	B	0.952000022
SN00003617	C[C@@H](COc1ccccc1)[NH2+][C@@H](C)[C@@H](c1ccc(cc1)O)O	B	0.952000022
SN00003618	C[C@H](COc1ccccc1)[NH2+][C@@H](C)[C@@H](c1ccc(cc1)O)O	B	0.952000022
SN00003619	C[C@@H](COc1ccccc1)[NH2+][C@H](C)[C@@H](c1ccc(cc1)O)O	B	0.952000022
SN00003649	COc1ccc2c(c1)c(ccn2)[C@@H]([C@@H]1C[C@@H]2CC[NH+]1C[C@@H]2C=C)O	B	0.967999995
SN00003650	COc1ccc2c(c1)c(ccn2)[C@H]([C@@H]1C[C@@H]2CC[NH+]1C[C@@H]2C=C)O	B	0.967999995
SN00003651	COc1ccc2c(c1)c(ccn2)[C@@H]([C@H]1C[C@@H]2CC[NH+]1C[C@@H]2C=C)O	B	0.967999995
SN00003668	C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC1=CC(=O)C=C[C@]31C)O	B	0.967999995
SN00005663	c1ccc2c(c1)c(=O)c1ccccc1o2	B	0.99000001
SN00005686	CC[C@]1(C(=O)C=CNC1=O)CC	B	0.952000022
SN00005728	c1cc(ccc1/C=C/C(=O)c1ccc(cc1O)O)O	B	0.986000001
SN00005729	c1cc(c(cc1c1c(c(=O)c2c(cc(cc2o1)O)O)O)O)O	B	0.994000018
SN00005730	c1cc(ccc1c1c(c(=O)c2c(cc(cc2o1)O)O)O)O	B	0.991999984

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