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
SN00369549	c12c(=O)c3c(oc1cccc2O)cccc3	B	0.963999987
SN00369591	N(C(=O)CCCC)C(=O)CCCC	B	0.95599997
SN00369701	C(=O)(O[C@@H](CC/C=C(/CC)C)CC)C	B	0.980000019
SN00369941	C(=C)CS	B	0.967999995
SN00370024	c12c(=O)cc(oc2cc(c(c1O)O)O)c1c(O)cccc1	B	0.984000027
SN00370028	c1(c(=O)oc2c(c1)cc(c(c2)O)O)c1ccc(cc1)O	B	0.952000022
SN00370080	[C@@]12([C@H]([C@H]3[C@@H]([C@@]4([C@H](C[C@@H]3O)C[C@H](CC4)O)C)CC2)CC[C@@H]1[C@@H](CCC(=O)O)C)C	B	0.952000022
SN00370125	[C@@H]12[C@](C=CC(=O)C(=CCCC(=C1)C(=O)O2)C)(C)C	B	0.95599997
SN00370226	[N@@+](CCCCCN)(C)(C)C	B	0.970000029
SN00370345	c1(C(=O)OCCC)ccccc1	B	0.984000027
SN00370412	[C@H](CCCCCCCCCCCCCCCCCCCCCC)(CCCCCC)C	B	0.991999984
SN00370696	[C@@H](C=C)(O)C	B	0.963999987
SN00370860	[C@@]123[C@H]4[C@@]5([C@H](C(=C)[C@@H](C5)CC4)O)CC[C@@H]1[C@@](CN1[C@@H]2OCC1)(CCC3)C	B	0.953999996
SN00370883	c12c(c(ccc(c2)C(=C)C)C)ccc1C=O	B	0.959999979
SN00370964	C(=O)(OCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCCCCCC	B	0.995999992
SN00370965	[C@@H]1(CC[C@H](CC1)C)C	B	0.973999977
SN00371028	C(=O)(OCC/C=C\CC)CCC	B	0.976000011
SN00371067	[C@H](C(=O)CC)(CCC)C	B	0.958000004
SN00371128	[C@@H](CCC[C@H](C)C)(CC)C	B	0.991999984
SN00371194	O[C@H](CC)CCCCCCCCCCCCCC	B	0.994000018
SN00371202	c1(c2oc3c(c(=O)c2)c(ccc3)OC)c(c(c(c(c1OC)OC)OC)OC)OC	B	0.958000004
SN00371221	[C@@H]12[C@H]([C@H](C(=O)O1)C)CC[C@H](C2)C	B	0.967999995
SN00371241	C#C	B	1
SN00371278	[C@@H]12[C@H]3C[C@@H](CN1C(=O)C[C@H](C2)O)[C@@H]1N(C3)CCCC1	B	0.95599997
SN00371285	c1(c2ccc(cc2)O)ccc(cc1)[C@@H](C)C	B	0.953999996

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