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
SN00123120	Cc1c(c(=O)n(c(=O)n1C)C)[C@H](C)CC(=O)[O-]	B	0.953999996
SN00123137	CCOC(=O)CCc1c(n(c(=O)n(c1=O)C)C)C	B	0.973999977
SN00123138	CCOC(=O)CCc1cn(c(=O)n(c1=O)C)C	B	0.959999979
SN00123446	Cc1ccc2cc3c(ccc(n3)C)cc2n1	B	0.952000022
SN00123727	c1ccc(cc1)/N=N/c1ccc(cc1)[S@@](=O)(=O)[O-]	B	0.95599997
SN00123728	c1cc(ccc1/N=N/c1ccc(cc1)[S@](=O)(=O)[O-])[S@](=O)(=O)[O-]	B	0.972000003
SN00123805	c1c2c(cc3c1NC(=O)CC3)NC(=O)CC2	B	0.95599997
SN00123975	C[C@]12CC[C@H]([C@@]1(C)C)c1c2oc(=O)cc1	B	0.959999979
SN00123976	C[C@@]12CC[C@@H]([C@]1(C)C)c1c2oc(=O)cc1	B	0.959999979
SN00124003	C[C@@H]1[C@H]2CC[C@@](C1=O)([C@]2(C)C)C	B	0.959999979
SN00124004	C[C@H]1[C@H]2CC[C@@](C1=O)([C@]2(C)C)C	B	0.959999979
SN00124005	C[C@]12CC[C@H]([C@]1(C)C)[C@](C2=O)(CBr)Br	B	0.972000003
SN00124006	C[C@@]12CC[C@@H]([C@@]1(C)C)[C@](C2=O)(CBr)Br	B	0.972000003
SN00124076	c1c2c(cc3c1NC(=O)C3)NC(=O)C2	B	0.953999996
SN00124093	CCN(CC)C(=O)[C@@]1(CC[C@@H]([C@@]1(C)C)C)C	B	0.95599997
SN00124094	CCN(CC)C(=O)[C@]1(CC[C@@H]([C@]1(C)C)C)C	B	0.95599997
SN00124095	CCN(CC)C(=O)[C@@]1(CC[C@H]([C@]1(C)C)C)C	B	0.95599997
SN00124096	CCN(CC)C(=O)[C@]1(CC[C@H]([C@]1(C)C)C)C	B	0.95599997
SN00124157	C[C@@H](CCCC(=C)C)CCN(c1ccccc1)N	B	0.95599997
SN00124158	C[C@H](CCCC(=C)C)CCN(c1ccccc1)N	B	0.95599997
SN00124164	C[C@@H](CCCC(=C)C)CCOC(=O)c1ccccc1	B	0.980000019
SN00124165	C[C@H](CCCC(=C)C)CCOC(=O)c1ccccc1	B	0.980000019
SN00124189	CCOC(=O)[C@H](C)[C@@](c1ccccc1)(c1ccccc1)O	B	0.977999985
SN00124190	C[C@@H](C(=O)[O-])[C@@](c1ccccc1)(c1ccccc1)O	B	0.953999996
SN00124191	C[C@H](C(=O)[O-])[C@@](c1ccccc1)(c1ccccc1)O	B	0.953999996

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