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
SN00126253	CC#C[C@](C)([C@@H](C)C)OC(=O)C	B	0.952000022
SN00126360	CC(=O)c1cc2ccc(=O)oc2cc1O	B	0.958000004
SN00126387	C[C@@H](C)Cc1ccc(cc1)O	B	0.967999995
SN00126523	Cc1ccccc1/N=N/c1c(nn2c1nc(cc2C)C)N	B	0.95599997
SN00127208	Cn1c2ccccc2c(cc1=O)NN	B	0.953999996
SN00127431	c1ccc2c(c1)c1cccc(c1o2)C(=O)[O-]	B	0.952000022
SN00127714	C[C@@H]1[C@@H]2C=C[C@@H](O2)[C@@H](C1=O)C	B	0.958000004
SN00127725	c1ccc(=O)c(c(c1)[O-])[O-]	B	0.977999985
SN00127733	Cc1cc(c(=O)c(cc1C)Cl)[O-]	B	0.962000012
SN00127830	C[C@@H](/C=C(\C)C)OCc1ccccc1	B	0.970000029
SN00127831	C[C@H](/C=C(\C)C)OCc1ccccc1	B	0.970000029
SN00127880	Cc1cc(nn1C)C(=O)OC	B	0.980000019
SN00127883	CCOC(=O)c1cc(n(n1)c1ccccn1)C	B	0.972000003
SN00127888	CCOC(=O)c1cc(n(n1)c1cc(n(n1)C)C)C	B	0.95599997
SN00127889	CCOC(=O)c1cc(n(n1)Cc1ccccc1)C	B	0.976000011
SN00128108	C1CS/C(=C\2SCCCS2)SC1	B	0.962000012
SN00128201	c1cc2c(nc1)onc2Cl	B	0.953999996
SN00128290	Cc1ccc2cnn(c2n1)C	B	0.953999996
SN00128382	C(=O)[C@](Cl)(Cl)Cl	B	0.963999987
SN00128383	CC[C@@]1(C(=NC(=S)NC1=O)[O-])CC	B	0.95599997
SN00128526	Cc1cc(cc2n1nnn2)O	B	0.958000004
SN00128626	Cn1c2c(c(=[NH+])c3c1CCC3)CCCC2	B	0.976000011
SN00129017	C[C@]12CC[C@H]([C@@]1(C)C)C(=O)C(=C2[O-])Br	B	0.966000021
SN00129018	C[C@@]12CC[C@@H]([C@]1(C)C)C(=O)C(=C2[O-])Br	B	0.966000021
SN00129044	C[C@H](C)N/C=C(/C)C(=O)c1ccccc1	B	0.953999996

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