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
SN00036399	COc1c(cc2c(c1O)c(=O)cc(o2)c1ccccc1)O	B	0.952000022
SN00036483	C[C@@H]1C(=O)O[C@@H]2[C@]1([C@@]13C(=O)O[C@H]4[C@]1([C@H]2O)[C@@]1([C@@H](C4)[C@](C)(C)C)[C@H](C(=O)O[C@H]1O3)O)O	B	0.970000029
SN00036487	C[C@H]1C[C@H](C(=O)[C@H](C1)[C@H](C[C@H]1CC(=O)NC(=O)C1)O)C	B	0.958000004
SN00036502	C[C@@H]1C[C@@H](C(=O)[C@H](C1)[C@H](C[C@H]1CC(=O)NC(=O)C1)O)C	B	0.958000004
SN00036503	C[C@H]1C[C@@H](C(=O)[C@H](C1)[C@H](C[C@H]1CC(=O)NC(=O)C1)O)C	B	0.958000004
SN00037057	C/C(=C\Cc1c(cc(c2c1oc(c(c2=O)C/C=C(\C)C)c1ccc(cc1O)O)O)O)C	B	0.966000021
SN00037388	C[C@](C)([C@H]1Cc2c(=O)c3ccccc3n(c2O1)C)O	B	0.962000012
SN00039567	CCCCCCCCCCCCCc1cc(=O)c2ccccc2n1C	B	0.972000003
SN00039863	CCCCCCCCCc1cc(=O)c2ccccc2n1C	B	0.972000003
SN00040237	Cc1cc(=O)c2c(cc3c(c2o1)cc(cc3OC)OC)OC	B	0.966000021
SN00042295	c1cc2c(cc1O)oc1cc(cc(c1c2=O)O)C(=O)[O-]	B	0.967999995
SN00042709	C[C@H](C)[C@@H]1C(=O)c2cc3ccc(=O)oc3cc2O1	B	0.962000012
SN00042727	c1ccc(cc1)c1coc2c1cc1ccc(=O)oc1c2	B	0.966000021
SN00042854	COc1cccc2cc(c(c(c2c1=O)OC)OC)OC	B	0.970000029
SN00042904	C[C@H](C)NC(=O)Cn1cnc2c1c(=O)n(c(=O)n2C)C	B	0.952000022
SN00042940	C[C@](C)(C#Cc1ccccn1)O	B	0.972000003
SN00042978	CCNc1nc2c(n1CC[C@@H](C)C)c(=O)n(c(=O)n2C)C	B	0.959999979
SN00043087	Cc1c(c(=O)oc2c1cc1c(c2)oc2c1CCCC2)C	B	0.966000021
SN00043106	Cc1coc2c1cc1c(c(c(=O)oc1c2)C)C	B	0.976000011
SN00043107	Cc1c(c(=O)oc2c1cc1c(c(oc1c2)C)C)C	B	0.959999979
SN00043108	Cc1c(c(=O)oc2c1cc1c(c2)occ1c1ccccc1)C	B	0.95599997
SN00043111	Cc1c(oc2c1cc1c(c2)oc(=O)c2c1CCC2)C	B	0.953999996
SN00043124	c1cc(ccc1c1coc2c1cc1c(c2)oc(=O)c2c1CCC2)F	B	0.952000022
SN00043131	c1cc(ccc1c1coc2c1cc1ccc(=O)oc1c2)F	B	0.959999979
SN00043157	Cc1coc2c1cc1c3ccccc3c(=O)oc1c2	B	0.958000004

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