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
SN00106334	Cn1c2cc(c(cc2c(=O)n(c1=O)Cc1ccccc1)OC)OC	B	0.962000012
SN00106400	CC(=C)Cn1c2ccccc2c(=O)n(c1=O)C	B	0.966000021
SN00111988	C[C@@H](C)[C@@H]1CC(=O)NC2=C1C(=O)O[C@@]2(C)C	B	0.963999987
SN00111989	C[C@@H](C)[C@H]1CC(=O)NC2=C1C(=O)O[C@@]2(C)C	B	0.963999987
SN00112207	C[C@@H](C)n1cc(c2c1cccc2)CCCC(=O)Nc1cnn(c1)C	B	0.958000004
SN00112660	C[C@@H](C)CCNC(=O)c1cc(=O)n(c2c1cccc2)C	B	0.970000029
SN00116040	Cc1cc(=O)c(c(o1)[C@H](c1ccccc1)c1c(c(=O)cc(o1)C)O)O	B	0.970000029
SN00116754	c1ccc(cc1)[C@@H](C(=O)c1ccccc1)O	B	0.972000003
SN00116761	CCOC(=O)c1c(n(c2c1cc(cc2)O)C)C	B	0.958000004
SN00116764	Cc1c(nc(c(n1)C)C)C	B	0.95599997
SN00116771	c1ccc(cc1)C[S@@H](=O)Cc1ccccc1	B	0.963999987
SN00116887	Cc1cc(c(c(c1C)C(=O)[O-])C)C	B	0.967999995
SN00117001	COc1cc(cc(c1OC)OC)C(=O)OC	B	0.952000022
SN00117066	Cn1c(=O)c2ccccc2nc1SC	B	0.973999977
SN00117142	c1ccc2c(c1)cccc2C(=O)[O-]	B	0.967999995
SN00117158	CC1=C(C(=O)C(=C(C1=O)C)C)C	B	0.958000004
SN00117189	c1ccc(cc1)CN1C(=O)C=CC1=O	B	0.984000027
SN00117236	Cn1c(cc(=O)n(c1=O)C)N	B	0.972000003
SN00117278	CCOC(=O)c1cc(on1)C	B	0.962000012
SN00117305	c1ccc(cc1)c1cn2ccccc2n1	B	0.952000022
SN00117312	CCOC(=O)c1cc(n(n1)C)C	B	0.99000001
SN00117316	C[N@@+](C)(C)CCOC(=O)c1ccccc1	B	0.991999984
SN00117335	CCN(CC)c1nc2ccccc2c(=O)n1c1ccccc1	B	0.980000019
SN00117405	CN(C)/C=C/C(=O)c1ccccc1	B	0.952000022
SN00117406	CCOC(=O)c1c(n(c2c1cccc2)C)C	B	0.95599997

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