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
SN00430409	O.Cl.COc1cc2c(cc1)nccc2[C@H]([C@H]1N2C[C@@H]([C@H](C1)CC2)C=C)O	B	0.966000021
SN00430284	C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]34C)[C@@H]1CC[C@]2(O)C(=O)CO	B	0.967999995
SN00430201	O[C@H]([C@H]1C[C@H]2CCN1C[C@@H]2C=C)c1c2ccccc2ncc1	B	0.967999995
SN00430117	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC	B	1
SN00430113	CCCCCC/C=C/CCCCCC	B	0.967999995
SN00429927	O=C1C=Cc2c(cccc2)C1=O	B	0.953999996
SN00429793	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC	B	1
SN00429789	F[C@](F)(F)C(=O)[C@](F)(F)F	B	0.95599997
SN00429768	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC	B	1
SN00429614	O[C@H]([C@H]1C[C@@H]2CCN1C[C@@H]2C=C)c1c2ccccc2ncc1	B	0.967999995
SN00429492	Cl.[Cl-].Cc1nc(N)c(cn1)C[n+]1c(C)c(sc1)CCO	B	0.966000021
SN00429473	[Cl-].CC(=O)OCC[N@@+](C)(C)C	B	0.99000001
SN00429337	OC[C@H](O)[C@H](O)[C@@H](O)[C@H](O)C=O	S	0.966000021
SN00429258	Cn1c(=O)n(C)c2c(n(C)c(Cl)n2)c1=O	B	0.967999995
SN00429180	C[C@H](C)CCOC(=O)C	B	0.987999976
SN00429163	CCCC(=O)OC[C@H](C)C	B	0.986000001
SN00429101	CCCCCCCCC(=O)OCC	B	0.994000018
SN00429025	CCCCCCCCOC(=O)CCC	B	0.987999976
SN00429009	O.O.Cl.COc1ccc2c(c1)c([C@H]([C@H]1N3C[C@@H]([C@H](C1)CC3)C=C)O)ccn2	B	0.966000021
SN00428966	CCCCCCCCCCC(=O)OCC	B	0.994000018
SN00428896	O[C@@H]([C@@H]1C[C@H]2CCN1C[C@H]2C=C)c1c2ccccc2ncc1	B	0.967999995
SN00428881	C[C@@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]34C)[C@@H]1CC[C@]2(O)C(=O)CO	B	0.967999995
SN00428775	C[C@](C)(O)[C@H]1[C@H]2OC(=O)[C@@H]1[C@@]1(O)C[C@@H]3O[C@]43C(=O)O[C@H]2[C@]14C	B	0.977999985
SN00428525	CC(=C\Cc1c(O)cc(C)oc1=O)\C	B	0.962000012
SN00428457	C[C@@H]1[C@H]2CC[C@@]3(C)C=CC(=O)C(=C3[C@@H]2OC1=O)C	B	0.981999993

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