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
SN00399199	[C@@H](CCOC(=O)C)(CCC[C@@H](C)C)C	B	0.976000011
SN00399225	[C@H](CCCCCCCCCCCCNC(=O)C)(C)C	B	0.962000012
SN00399335	[C@H]([C@@](C=C)(C)C)(OC(=O)C)/C=C(/C)C	B	0.952000022
SN00399354	c12c(c(=O)nc(n1C)C)cccc2	B	0.980000019
SN00399366	c1([C@@H](CCC)CCCCCCC)ccccc1	B	0.970000029
SN00399513	[C@@]12([C@]3(C(=CC(=O)[C@@H]1[C@@]1([C@@H](CC2)[C@]([C@H](CC1)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)(C)C)C)[C@H]1[C@@](CC3)(CC[C@](C1)(C(=O)O)C)C)C)C	S	0.972000003
SN00399516	[C@@H](OC(=O)C)(CC/C=C(/C)C)C=C	B	0.977999985
SN00399546	[C@H]([C@H]([C@@H](C=O)O)O)([C@H](CO)O)O	S	0.966000021
SN00399568	C(=O)(c1ncccc1)OCC	B	0.972000003
SN00399600	[C@H]12[C@]3(C[C@@](CC2)(C(=C)C3)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O)O)O)CC[C@H]2[C@]1(CCC[C@]2(C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)C	S	0.998000026
SN00399719	c12c(c(c(c(c1O)OC)OC)C)oc(cc2=O)C	B	0.966000021
SN00399862	C(=O)(OCC)CCCCCC[C@H](O)C	B	0.959999979
SN00399908	[C@H]12[C@@H](CC(=C)[C@H]3[C@@H](C2)C(=C)CC3)OC(=O)C1=C	B	0.963999987
SN00399977	C(=O)OCCCCCCCC/C=C\CCCC	B	0.970000029
SN00399978	O(C(=O)C)C/C=C/CCC	B	0.981999993
SN00400084	[C@]12([C@@]([C@H](CC2)[C@@H](CC[C@H](O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)[C@](O)(C)C)C)(C[C@H]([C@@]2([C@@H]1CC=C1[C@H]2CC[C@@H]([C@@]1(C)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)O)C)C	S	0.991999984
SN00400106	[C@@H](/C=C(\Br)Br)(Br)Cl	B	0.952000022
SN00400301	c1(ncccc1)C	B	0.991999984
SN00400672	C1(=CC=C(CCC=C(CC1)C)C)[C@@H](C)C	B	0.986000001
SN00400676	[C@@H](OC(=O)C)(CCC)C=C	B	0.976000011
SN00400701	c1(C(=O)OCC/C=C/CC)ccccc1	B	0.986000001
SN00400726	c1(c2oc3c(c(=O)c2)c(cc(c3)O)O)c(c(c(c(c1OC)OC)OC)OC)OC	B	0.970000029
SN00400774	c1(=O)c(cocc1O)O	B	0.959999979
SN00400791	C12=C(CC[C@@H]1[C@](CC[C@@H]1[C@@H]2OC(=O)C1=C)(O)C)C	B	0.95599997
SN00400821	[C@@]12([C@]3(C(=CC(=O)[C@@H]1[C@@]1([C@@H](CC2)[C@]([C@H](CC1)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)(CO)C)C)[C@H]1[C@@](CC3)(CC[C@@](C1)(C(=O)O)C)C)C)C	S	0.959999979

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