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
SN00121239	C[C@@](C)(C)NC(=O)[C@@]([C@](F)(F)F)([C@](F)(F)F)Br	B	0.962000012
SN00121291	Cc1c2c(c3ccccc3n(c2=O)C)on1	B	0.959999979
SN00121306	Cc1cc(c2ccccc2n1)NC(=O)C	B	0.967999995
SN00121336	C1=CC2=CC=C3CCC(=CC=C1CC2)C=C3	B	0.95599997
SN00121407	C1CC(=O)N(C1=O)Oc1c(c(c(c(c1F)F)[C@](F)(F)F)F)F	B	0.953999996
SN00121510	CCCCCCC[P@@](=O)(COCC)COCC	B	0.987999976
SN00121561	CC[C@@]1(/C(=N/N)NC(=NC1=O)[O-])CC	B	0.977999985
SN00121562	CCCC(=O)NN(C)c1ccccc1	B	0.958000004
SN00121585	Cc1cc(n(n1)Cc1ccccc1)C	B	0.962000012
SN00121586	c1nncn1/N=C(\[O-])[C@@](F)(F)F	B	0.953999996
SN00121587	Cc1ccc(=O)oc1c1ccccc1	B	0.958000004
SN00121682	c1ccc(cc1)CN(Cc1ccccc1)C(=O)[C@](F)(F)F	B	0.966000021
SN00121828	CCCCN(CCCC)C(=O)[C@@](C)([C@](F)(F)F)[C@](F)(F)F	B	0.962000012
SN00121921	c1ccc(cc1)[C@H](/C=C/Cl)c1ccccc1	B	0.95599997
SN00122249	C[N@@+](C)(C)[C@H]([C@@H]([N@@+](C)(C)C)OC)OC	B	0.959999979
SN00122250	C[N@@+](C)(C)[C@@H]([C@H]([N@@+](C)(C)C)OC)OC	B	0.959999979
SN00122330	COc1c(nc2cc3c(cc2n1)nc(c(n3)OC)OC)OC	B	0.958000004
SN00122850	C[C@@H]1C[C@@H]2CC(=O)CC[C@@]2([C@@H]2[C@@H]1[C@@H]1CC[C@@H]([C@@]1(CC2)C)O)C	B	0.953999996
SN00122851	C[C@@H]1C[C@H]2CC(=O)CC[C@@]2([C@@H]2[C@@H]1[C@@H]1CC[C@@H]([C@@]1(CC2)C)O)C	B	0.953999996
SN00122852	C[C@@H]1C[C@@H]2CC(=O)CC[C@]2([C@@H]2[C@@H]1[C@@H]1CC[C@@H]([C@@]1(CC2)C)O)C	B	0.953999996
SN00122853	C[C@@H]1C[C@H]2CC(=O)CC[C@]2([C@@H]2[C@@H]1[C@@H]1CC[C@@H]([C@@]1(CC2)C)O)C	B	0.953999996
SN00122915	Cc1cc2c(cc1C)C(=O)c1cc(c(cc1C2=O)C)C	B	0.953999996
SN00123007	c1ccn(c1)c1cnccc1C(=O)[O-]	B	0.970000029
SN00123109	Cc1n[nH]c(=O)[nH]c2c1c(=O)n(c1c2cccc1)c1ccccc1	B	0.952000022
SN00123119	Cc1c(c(=O)n(c(=O)n1C)C)[C@@H](C)CC(=O)[O-]	B	0.953999996

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