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
SN00014144	Cc1c(cc2c(c1O)c(=O)c(c(o2)c1ccc(c(c1)O)O)O)O	B	0.959999979
SN00014148	c1cc(c(cc1c1c(c(=O)c2c(cc(c(c2o1)O)O)O)O)O)O	B	0.967999995
SN00014167	COc1cc(cc(c1OC)OC)Cc1cnc(nc1N)N	B	0.958000004
SN00014195	C[C@@](c1ccccc1)(c1ccccn1)OCC[NH+](C)C	B	0.970000029
SN00014203	C[C@@](C)(Cc1ccccc1)[NH2+]C	B	0.973999977
SN00016218	C[C@](C)(Cc1ccccc1)[NH3+]	B	0.970000029
SN00016250	Cc1nnc(N)s1	B	0.953999996
SN00016525	Cc1c(c(n(n1)c1ccccn1)C)[C@H]1C[C@@H](C=C1)NC(=O)C	B	0.95599997
SN00017860	COc1ccc2c(c1)c(ccn2)[C@H]([C@H]1C[C@@H]2CC[NH+]1C[C@H]2C=C)O	B	0.967999995
SN00017902	c1ccc(cc1)/N=N\c1ccccc1	B	0.958000004
SN00017937	c1cc(c(cc1/C=C/C(=O)c1ccc(cc1O)O)O)O	B	0.994000018
SN00019810	CCC[C@H](C)[C@]1(C(=NC(=S)NC1=O)[O-])CC=C	B	0.966000021
SN00020450	c1ccc(cc1)c1coc2cc(ccc2c1=O)O	B	0.987999976
SN00020453	c1c(cc(c(c1O)O)O)c1cc(=O)c2c(cc(cc2o1)O)O	B	0.987999976
SN00020474	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)CO)O)C)O	B	0.95599997
SN00020484	CC[C@]1(C(=O)NC(=O)NC1=O)CC	B	0.995999992
SN00020485	CCC[C@@H](C)[C@]1(C(=O)NC(=O)NC1=O)CC	B	0.966000021
SN00020486	CCC[C@H](C)[C@]1(C(=O)NC(=O)NC1=O)CC	B	0.966000021
SN00020602	CC1=C2[C@H]3[C@@H](CC(=O)[C@]2(CCC1)C)C(=C)C(=O)O3	B	0.962000012
SN00020645	c1cc(=O)oc2c1cc(c(c2)O)C(=O)[O-]	B	0.959999979
SN00020931	CCCCC[C@H]1C(=C(C(=O)O1)C)C(=O)[O-]	B	0.970000029
SN00020932	CCCCC[C@@H]1C(=C(C(=O)O1)C)C(=O)[O-]	B	0.970000029
SN00020952	CC[C@H]1CC/C(=C\2C(=O)[C@H](OC2=O)C)O1	B	0.963999987
SN00021063	COc1ccccc1c1cc(=O)c2c(o1)cc(cc2OC)OC	B	0.962000012
SN00021093	C/C(=C\Cc1c(cc2c(c1O)c(=O)c1ccc(cc1o2)O)O)C	B	0.986000001

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