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
SN00305061	C(=O)(C[C@H](C)C)OCC	B	0.99000001
SN00305084	C(=O)(CCCCCCCCCCCCCCC)OCCCC	B	0.991999984
SN00305114	N(C)C	B	0.995999992
SN00305155	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
SN00305170	[C@]123[C@](O1)(CC[C@H]2[C@H](C[C@H]1[C@H](C3)C(=C)C(=O)O1)C)COC(=O)C	B	0.958000004
SN00305386	C(=C\C[C@@H](O)C)/CC	B	0.970000029
SN00305394	[C@H](OC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCOC(=O)CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC	B	0.966000021
SN00305447	C(=O)(OC=C)CCCCCCCCCCCCCCCCCCCCCCCC	B	0.986000001
SN00305619	N1[C@@H](CCC[C@H]1CCCCCCCCCCCCCCC)C	B	0.973999977
SN00305796	c12c(occ(c1=O)Cc1ccc(cc1)O)cc(cc2)O	B	0.953999996
SN00305868	c12c(c(c(c(c1O)OC)OC)OC)oc(cc2=O)c1cc(c(cc1)O)O	B	0.95599997
SN00306044	C(=C\CC/C=C\CCCCCCCCCCCCCCCCC)\CCCCCC	B	0.970000029
SN00306060	[S@H+](CC)(CC)C	B	0.972000003
SN00306102	c12c(c(c(c(c1OC)OC)OC)OC)oc(cc2=O)c1cc(c(c(c1)OC)O)OC	B	0.953999996
SN00306440	[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
SN00306478	[C@@H](CCCCCOC(=O)CCCC)(CCCCCCCCCCCCCCCCCCC)O	B	0.976000011
SN00306595	c12c(oc(cc2=O)c2ccccc2)c(c(c(c1OC)OC)OC)O	B	0.980000019
SN00306684	C(=O)(CCCCCCCCCCCCCC)C	B	0.987999976
SN00306765	c12c(c(c(c(c1O)OC)OC)OC)oc(cc2=O)c1c(cc(c(c1)OC)OC)O	B	0.953999996
SN00306787	c1(c(=O)c2c(oc1)c(O)ccc2)c1ccc(cc1)O	B	0.970000029
SN00306870	c12c(cc(cc2)OCC)oc(=O)c(c1C)C	B	0.95599997
SN00306937	C(C[C@H](CCCCCC)C)C[C@@H](CCCC)C	B	0.991999984
SN00307071	c12c(c(cccc2)C)ccc1C=O	B	0.958000004
SN00307094	c1([C@H]2N(CCC2)C)cc([C@H]2N(CCC2)C)cnc1	B	0.95599997
SN00307206	[C@@H](CCCCCCCCCCCCC)(C)C	B	0.995999992

Page 110 of 163