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
SN00351566	[C@@]12([C@@H]([C@@H]3[C@H](CC2)[C@@]2([C@H](C[C@@H]3O)C[C@@H](CC2)O)C)CC[C@@H]1[C@H](CCC(=O)O)C)C	B	0.952000022
SN00351743	c12c(c(c(c(c1OC)OC)OC)O)oc(cc2=O)c1cc(c(c(c1)OC)OC)OC	B	0.959999979
SN00351816	[C@H](CCCCC/C=C\CCCCCCCCCCCCCCCCCCCCCCCCCC)(CCCCCCCC)O	B	0.966000021
SN00352017	c12c(c(=O)cc(o1)c1c(OC)cccc1)c(cc(c2OC)OC)OC	B	0.962000012
SN00352082	O[C@H](CCCCCCCC)CCCCCCCC	B	0.991999984
SN00352169	C(=O)(O[C@H](CCCCCCCCCC)C)CC	B	0.984000027
SN00352214	C(=C\CC/C=C\CCCC)\CCCCCCCCCCCCCCCCC	B	0.970000029
SN00352290	C(=O)(CCCCCC)OCC	B	0.994000018
SN00352352	C(=C\CCCCCCCCCCCCCCCC)/CC	B	0.958000004
SN00352368	O(C(=O)C)CCCCCCCCC/C=C\CCC	B	0.967999995
SN00352421	C(=O)(Cl)[C@H](CCC)C	B	0.958000004
SN00352462	C1(=C([C@H](C(=O)[C@](C1=O)(C/C=C(\C)C)C/C=C(/C)C)C/C=C(\C)C)O)C(=O)[C@@H](CC)C	B	0.970000029
SN00352508	[C@H](CCCCCCCCCCCCCCCCCCCCCC)(CC)C	B	0.995999992
SN00352667	[C@H]1(CCC(=CC1)C)CC	B	0.958000004
SN00352671	[C@H](OC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCC	B	0.986000001
SN00352727	C(=C\[C@@H](C=C)C)\CC(=C)C	B	0.962000012
SN00352875	[C@H]12N(C[C@@H]3C[C@H]1CN1[C@@H]3C[C@@H](CC1)O)C(=O)CCC2	B	0.967999995
SN00352896	c12c(c(=O)cc(n1C)CCCCCCCCCC)cccc2	B	0.972000003
SN00352903	C([C@H](C)C)CCCCCCCCCCCCCCC	B	0.995999992
SN00353043	c1(c(oc(=O)c(c1O)C)[C@@H](C)C)C	B	0.958000004
SN00353081	C([C@H](CCCCCCCCCCCCCCCCCCCCCC)O)[C@@H](CCCCC)O	B	0.952000022
SN00353084	C1(=CC=C(CCC=C(CC1)C)C)[C@@H](C)C	B	0.986000001
SN00353242	C(=C\CCC)(/CCCCCCCCCCCCCCC)C	B	0.981999993
SN00353257	c12c(c(c(c(c2)OC)OC)O)c(=O)cc(o1)c1cc(c(c(c1)OC)O)OC	B	0.95599997
SN00353394	[C@H](OC)(OC)CCCCCCCCCCCCCCC	B	0.973999977

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