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
SN00376713	[C@@]123[C@H]([C@@]45[C@H]6N(C[C@]([C@H]4CC3)(CCC5)C)CCO6)CC[C@@H](C(=C)[C@H]1O)C2	B	0.953999996
SN00376729	C(=C\CCCCC)/C=C	B	0.952000022
SN00376862	[C@]12(C(=C(CCC2)C)[C@H]2[C@H](CC1)[C@H](C(=O)O2)C)C	B	0.959999979
SN00376944	[C@@H](CCCCCCCCCCCCCCCCC)(C)C	B	0.995999992
SN00377181	C(=O)(OCC/C=C\C=C/CCCCCCCC)C	B	0.958000004
SN00377203	O[C@@H](CCCCC[C@@H](CC)C)C	B	0.981999993
SN00377209	[C@H](CCCCCCCCCCCC)(CC)C	B	0.995999992
SN00377227	C(=C\CCC[C@H](O)C)\CCCC	B	0.958000004
SN00377521	c12c(c(ccc1[C@@H](C)C)C)ccc(c2)C(=O)O	B	0.953999996
SN00377560	[C@@]123[C@](O2)(CC[C@H]2[C@@H]([C@H]1C(=CC3)C)OC(=O)C2=C)C	B	0.972000003
SN00377589	C(=O)(OCC)CCCCCCCCCCCCCCCCCCCCCCCCCCCCC	B	0.994000018
SN00377661	C(=C\COC(=O)C)(\CC/C=C(/CC/C=C(/C)C)C)C	B	0.981999993
SN00377738	c12c(c(c(c(c1O)OC)OC)OC)oc(c(c2=O)O)c1ccc(cc1)O	B	0.953999996
SN00377913	c12c(O[C@@H](C2)[C@](O)(C)C)c2c(n(c1=O)C)cccc2	B	0.953999996
SN00378051	c12c3c(ccc1cccn2)cccc3	B	0.958000004
SN00378072	[C@]12(C(=C(CCC2)C)[C@H]2[C@H](CC1)C(=C)C(=O)O2)C	B	0.95599997
SN00378170	c12c(c(=O)cc(o1)c1c(O)cccc1)c(cc(c2O)O)O	B	0.976000011
SN00378307	C(=O)(N)[C@H](CCC)C	B	0.952000022
SN00378426	[C@H]1(N[C@H](CCC1)C)CCCCCCCCCCCCCCC	B	0.973999977
SN00378455	[C@@H](C[C@@H](CCC)O)(CCCCCCCCCCCCC)O	B	0.952000022
SN00378541	[S@@](=O)(=O)(OCCCCCCCCCCCCCCCC)O	B	0.981999993
SN00378595	O(C(=O)CCCCCCC)C(=O)CCCCCCC	B	0.991999984
SN00378679	[C@@](C(=O)C)(O)(C)C	B	0.952000022
SN00378853	C(CCCCCCCCCCCCCCC)CCCCCCCCCCCCCC=O	B	0.970000029
SN00379062	[C@H]1([C@@H](c2c3c(ncc2)cccc3)O)N2C[C@@H]([C@H](C1)CC2)C=C	B	0.967999995

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