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
SN00046465	C[C@@](C)(C)c1coc2c1cc1c(c2)oc(=O)c2c1CCC2	B	0.959999979
SN00046597	Cn1cnc2c1ccc[n+]2C	B	0.958000004
SN00046774	CCOc1ccc2c(c1)occ(c2=O)c1ccc(cc1)OC	B	0.970000029
SN00046819	C[C@@H](C)C(=O)Oc1ccc2c(c1)occ(c2=O)c1ccc(cc1)OC	B	0.959999979
SN00046941	c1ccc2c(c1)c(=O)cc(o2)c1ccc2c(c1)OCCCO2	B	0.953999996
SN00046943	CC(=O)Cc1cc2ccccc2oc1=O	B	0.981999993
SN00047065	Cn1c(=O)c2c(n(c1=O)C)O[C@H](CC2)c1ccccc1	B	0.970000029
SN00047066	Cn1c(=O)c2c(n(c1=O)C)O[C@@H](CC2)c1ccccc1	B	0.970000029
SN00047251	c1ccc(cc1)c1c(c(=O)c2ccccc2o1)N	B	0.972000003
SN00047252	Cc1c2ccc(cc2oc(=O)c1C[C@@H](C)Cl)O	B	0.962000012
SN00047253	Cc1c2ccc(cc2oc(=O)c1C[C@H](C)Cl)O	B	0.962000012
SN00047264	c1ccc(cc1)Cc1nc2ccccc2c(=O)o1	B	0.959999979
SN00047369	CCOC(=O)[C@@H](C)Oc1ccc2ccc(=O)oc2c1	B	0.959999979
SN00047370	CCOC(=O)[C@H](C)Oc1ccc2ccc(=O)oc2c1	B	0.959999979
SN00047546	C/C(=C/1[C@H]2[C@H]([C@]2(C)C)CC1=O)Cl	B	0.95599997
SN00047590	Cc1nc2cc(c(cc2c(=O)o1)OC)OC	B	0.973999977
SN00047599	C[C@H](C)Nc1cccccc1=O	B	0.995999992
SN00047633	CNc1cccccc1=O	B	0.967999995
SN00047663	C[C@@H](C)CNc1nc2c(n1C)c(=O)n(c(=O)n2C)Cc1ccccc1	B	0.977999985
SN00047671	COc1cc(cc(c1OC)c1cc(cc(c1OC)OC)C=O)C=O	B	0.958000004
SN00047739	CCOC(=O)c1cc2c(nc1C)n(c(=O)n(c2=O)C)C	B	0.976000011
SN00047796	COc1cc2cc3cc(c(cc3c(=O)cc2cc1OC)OC)OC	B	0.967999995
SN00047914	C[C@H]1CCC=C2[C@@]1([C@H]([C@H]1[C@@H](C2)OC(=O)C1=C)O)C	B	0.966000021
SN00047915	C[C@@H]1CCC=C2[C@@]1([C@H]([C@H]1[C@@H](C2)OC(=O)C1=C)O)C	B	0.966000021
SN00047916	C[C@H]1CCC=C2[C@@]1([C@@H]([C@H]1[C@@H](C2)OC(=O)C1=C)O)C	B	0.966000021

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