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
SN00272342	c12c3c(oc(=O)c1ccc(c2O)O)cc(cc3)O	B	0.966000021
SN00272415	[C@@H](OC)(OCCCC)C	B	0.976000011
SN00272443	C(=C\CC)(/CCCCCCCCCCCCCC)C	B	0.986000001
SN00272464	N12[C@H]3C[C@@H](N=C1N[C@@H](C[C@@H]2CC3)C)CCCCC	B	0.962000012
SN00272972	c1(CC(=O)OCC)ccccc1	B	0.987999976
SN00273029	C(=O)(C(=O)C)OC	B	0.967999995
SN00273125	c12c(c(c(c(c1O)C/C=C(/C)C)O)C/C=C(/C)C)occc2=O	B	0.962000012
SN00273219	[C@H]([C@@H](CCC)C)(O)CC	B	0.952000022
SN00273225	[C@H](CCCCCCCCCC)(CCCCC)C	B	0.991999984
SN00273276	C(=O)(NC[C@@](O)(C)C)c1ccccc1	B	0.95599997
SN00273490	C([C@H](C)C)CCCCCCCCCCCCCCCCCCC	B	0.995999992
SN00273557	[S@@](=O)(=O)(OC[C@H](CCC[C@H](C)C)C)O	B	0.976000011
SN00273559	C(=C\CCCCCCCCCCCCC)/C(=O)C	B	0.973999977
SN00273693	c12c(oc(c(c1=O)O)c1cc(c(cc1)O)C/C=C(/C)C)cc(c(c2O)C/C=C(\C)C)O	B	0.952000022
SN00273843	[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
SN00274036	N1([C@H](c2cnccc2)CCC1)[C@@H](C)C	B	0.959999979
SN00274100	[C@@]123[C@@]([C@@H](CC1=C(C(=O)C3)C)CC[C@H]2C)(COC(=O)C)C	B	0.95599997
SN00274269	n1(c(ccc1)C=O)C[C@H](CC)C	B	0.984000027
SN00274429	c1(c(cc(cc1OC)[C@@H](O)CN)OC)OC	B	0.95599997
SN00274443	C(=C\CCCCCCCCC)/C(=O)C	B	0.973999977
SN00274672	c12c(oc3c(c1=O)ccc(c3)O)cc(c(c2O)C/C=C(\C)C)OC	B	0.95599997
SN00274674	c1(oc(=O)c(cc1)C)C(=O)C	B	0.967999995
SN00274816	[C@H]12[C@@H]3N(C[C@H](C1)[C@H]1N(C2)CCCC1)CCC(=O)C3	B	0.95599997
SN00274838	[C@@H](CCCCCCC[C@@H](CC)C)(CCCCCCCCCCC)C	B	0.991999984
SN00275067	[C@]12([C@@](C[C@@H]([C@@H](C1)OC(=O)C)[C@@H](C)C)(C(=O)CCC2)C)C	B	0.952000022

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