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
SN00428279	CC(=C)[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	0.984000027
SN00428295	[C@H]12CC(=O)CC[C@]1(C)[C@H]1CC(=O)[C@@]3(C)[C@@H](CC[C@@H]3[C@H]1C(=O)C2)[C@@H](C)CCC(=O)O	B	0.952000022
SN00428337	[C@H]12C[C@@H]3C4=CCO[C@@H]5CC(=O)N6[C@@H]([C@@H]35)[C@]1(CCN2C4)c1c6cc(OC)c(OC)c1	B	0.966000021
SN00428353	COc1c(O)cc(CCC(=O)c2c(O)cc(O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O[C@@H]3O[C@H](C)[C@@H](O)[C@H](O)[C@H]3O)cc2O)cc1	S	0.998000026
SN00428379	O[S@@](=O)(=O)O.COc1ccc2c(c1)c([C@H]([C@H]1N3C[C@H]([C@@H](C1)CC3)C=C)O)ccn2	B	0.958000004
SN00428381	OC[C@@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@](O)(CO)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O	S	0.959999979
SN00428388	Cl.CN[C@H]([C@H](c1ccccc1)O)C	B	0.987999976
SN00428390	Cl.Cl.CC[C@H]1[C@H](C[C@@H]2c3cc(c(cc3CCN2)OC)OC)C[C@@H]2N(C1)CCc1c2cc(c(c1)OC)OC	B	0.981999993
SN00428447	C[C@H](C)[C@H]1CC[C@@H](C)CC1=O	B	0.991999984
SN00428457	C[C@@H]1[C@H]2CC[C@@]3(C)C=CC(=O)C(=C3[C@@H]2OC1=O)C	B	0.981999993
SN00428525	CC(=C\Cc1c(O)cc(C)oc1=O)\C	B	0.962000012
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
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
SN00428896	O[C@@H]([C@@H]1C[C@H]2CCN1C[C@H]2C=C)c1c2ccccc2ncc1	B	0.967999995
SN00428966	CCCCCCCCCCC(=O)OCC	B	0.994000018
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
SN00429025	CCCCCCCCOC(=O)CCC	B	0.987999976
SN00429101	CCCCCCCCC(=O)OCC	B	0.994000018
SN00429163	CCCC(=O)OC[C@H](C)C	B	0.986000001
SN00429180	C[C@H](C)CCOC(=O)C	B	0.987999976
SN00429258	Cn1c(=O)n(C)c2c(n(C)c(Cl)n2)c1=O	B	0.967999995
SN00429337	OC[C@H](O)[C@H](O)[C@@H](O)[C@H](O)C=O	S	0.966000021
SN00429473	[Cl-].CC(=O)OCC[N@@+](C)(C)C	B	0.99000001
SN00429492	Cl.[Cl-].Cc1nc(N)c(cn1)C[n+]1c(C)c(sc1)CCO	B	0.966000021
SN00429614	O[C@H]([C@H]1C[C@@H]2CCN1C[C@@H]2C=C)c1c2ccccc2ncc1	B	0.967999995

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