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
SN00237935	C(=O)(OCCCC)CCCCC	B	0.991999984
SN00238023	c12c(n(cc1CN)C)cccc2	B	0.952000022
SN00238222	[C@H]12c3c(cc(c(c3)OC)OC)CCN1C[C@@H]([C@H](C2)/C=C1/c2c(cc(c(c2)OC)OC)CCN1)CC	B	0.962000012
SN00238238	c12c(oc3c(c1=O)cccc3OC)c(c(c(c2OC)OC)OC)OC	B	0.959999979
SN00238296	C(C(=O)OCCC)[C@@H](C)C	B	0.994000018
SN00238302	O(C(=O)C)C/C=C/CCCCCCC	B	0.973999977
SN00238346	c12c(n(c(=O)n1C)C)c(=O)ncn2C	B	0.991999984
SN00238435	[C@H]1([C@@H](C)C)CC[C@@H](CC1)C	B	0.963999987
SN00238653	[C@H](CCCCC[C@H](CCCCCCC)C)(CCCCCCCCCCCCCO)C	B	0.963999987
SN00238655	[C@@H]1(C[C@H](CC1)C)C	B	0.952000022
SN00238742	[C@]12([C@@H]([C@@H](C[C@@H]3[C@H](C1)C(=C)C(=O)O3)C)CCC2=O)C	B	0.952000022
SN00238883	C(=O)(CCCCCCCCCCCCCCCCCCC)OCC	B	0.994000018
SN00238946	c12[C@H]3[C@H]4C[C@@H](n1c1c(c2CCN3C[C@@H](C4)CC)cccc1)O	B	0.952000022
SN00238948	[C@H]12N(C[C@@H]3C[C@H]1CN1[C@H]3C[C@@H](CC1)O)C(=O)CCC2	B	0.967999995
SN00238984	C(=C\CCCCCCCCCCCCC/C=C/CCCCCCCC)\C=C	B	0.959999979
SN00239091	[C@]12(C(=O)OC[C@H]2CC[C@@H]2[C@@H]1CC[C@@H](C2)C)C	B	0.959999979
SN00239245	c1([C@H](OC)C)ccccc1	B	0.984000027
SN00239292	C(=C(\CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/C)C)C)C)C)C)C)/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CO)C)C)C)C)C	B	0.953999996
SN00239315	c12c(C(=O)C[C@H](C2=O)C)c(ccc1[C@@H](C)C)C	B	0.95599997
SN00239391	O(C(=O)CCCCCCCC)C(=O)CCCCCCCC	B	0.991999984
SN00239513	N1[C@H](CCC[C@H]1C)C	B	0.987999976
SN00239520	C(=C\[C@@H](CCCCCCCCCCCCCCCC)C)(/C(=O)OC)C	B	0.95599997
SN00239648	[S@H](=O)(C[C@@H](C)C)C	B	0.976000011
SN00239735	[C@]1(C(=O)NC(=O)NC1=O)(CC[C@@H](C)C)CC	B	0.994000018
SN00239742	C(=O)(O[C@H](COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)CCCCCCCCCCC/C=C\CCCCCCCC	B	0.95599997

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