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
SN00097968	C[C@@H](CCC[C@H](C)C)NC(=O)Cc1cnc(s1)n1cccc1	B	0.95599997
SN00097990	COc1cc2c(cc1OC)ncn(c2=O)CC(=O)OC	B	0.958000004
SN00098100	COc1cc2c(cc1OC)ncn(c2=O)CC=C	B	0.967999995
SN00098181	Cc1nc2ccccc2c(=O)n1CCOC(=O)[C@H](C)C	B	0.966000021
SN00098260	CCC[C@]12CNC[C@]([C@@H]1O)(C[NH+](C2)C[C@@H](C)C)CCC	B	0.962000012
SN00098368	C[C@]12CN(C[C@](C1=O)(CN(C2)C=O)C)C=O	B	0.95599997
SN00099016	CCOC(=O)c1nc2ccccc2c(=O)n1C	B	0.977999985
SN00099113	CNC(=O)c1nc2ccccc2c(=O)n1C	B	0.984000027
SN00099547	Cn1c2c(c([O-])n(c1=O)C)n1c(=NC(=O)C1)n2	B	0.952000022
SN00099995	C[C@H]1CN(C[C@@H](O1)C)C[C@@H]1[C@@H]2CC[C@]3(C=CC(=O)C(=C3[C@H]2OC1=O)C)C	B	0.963999987
SN00100946	C[C@@H](C)CCNC(=O)c1ccc2c(c1)ccn2C	B	0.977999985
SN00101899	C[C@@H](C)CCn1ccc2c(c1=O)cc1c(n2)ccn(c1=O)CCO	B	0.959999979
SN00101978	COC(=O)Cn1ccc(=O)c2c1cccc2	B	0.959999979
SN00102024	CC(=O)Cn1ccc(=O)c2c1cccc2	B	0.986000001
SN00102229	C[C@H](CCC[C@H](C)C)NC(=O)CCn1cc(c2c1cccc2)C(=O)C	B	0.953999996
SN00102230	C[C@@H](CCC[C@H](C)C)NC(=O)CCn1cc(c2c1cccc2)C(=O)C	B	0.953999996
SN00102913	COc1cc2c(cc1OC)nc1n(c2=O)CCO1	B	0.967999995
SN00102937	C[C@@H](C)C[C@@H]1Nc2ccccc2C(=O)N1C	B	0.967999995
SN00102938	C[C@@H](C)C[C@H]1Nc2ccccc2C(=O)N1C	B	0.967999995
SN00103779	Cn1c[n+]c2c1CCNC2	B	0.958000004
SN00104251	c1ccc(cc1)N1CCN(CC1)/C=C\1CCn2c1nc1ccccc1c2=O	B	0.953999996
SN00105399	Cc1nc2ccc(cc2c(=O)n1[O-])O	B	0.970000029
SN00106293	C[C@@H](C)n1c(=O)c2ccccc2n(c1=O)CC(=C)C	B	0.95599997
SN00106309	C[C@H](C)n1c(=O)c2cc(c(cc2n(c1=O)C)OC)OC	B	0.984000027
SN00106317	C[C@H](C)n1c(=O)c2cc(c(cc2n(c1=O)CC(=C)C)OC)OC	B	0.970000029

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