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
SN00001095	c1cnc(nc1)N[S@](=O)(=O)c1ccc(cc1)N	B	0.959999979
SN00001105	c1cc(cc(c1)Nc1c(cccn1)C(=O)[O-])[C@](F)(F)F	B	0.970000029
SN00001126	CC(=O)Nc1ccccc1	B	0.962000012
SN00001161	C[C@@H]1[C@H]2CC[C@@]3(C=CC(=O)C(=C3[C@@H]2OC1=O)C)C	B	0.981999993
SN00001188	CC(=O)c1ccc(c(c1)Cl)F	B	0.952000022
SN00001189	c1cc(ccc1C=O)F	B	0.95599997
SN00001194	c1cc(c(c(c1F)C=O)F)Cl	B	0.963999987
SN00001227	CC(=O)NCCc1ccccc1	B	0.959999979
SN00001294	COc1ccc(cc1)c1cc(=O)c2c(o1)cc(c(c2OC)OC)OC	B	0.970000029
SN00001333	c1ccc2c(c1)cc(c(=O)o2)O	B	0.963999987
SN00001334	COc1cc(c(cc1OC)OC)C=O	B	0.973999977
SN00001348	COc1cc(ccc1O)c1cc(=O)c2c(o1)cc(c(c2O)OC)OC	B	0.970000029
SN00001391	C/C(=C\COc1ccc2ccc(=O)oc2c1)C	B	0.977999985
SN00001422	c1cc(c(cc1c1coc2cc(ccc2c1=O)O)O)O	B	0.976000011
SN00001423	c1cc(ccc1c1coc2cc(c(cc2c1=O)O)O)O	B	0.981999993
SN00001449	COc1ccc2c(c1)c(ccn2)[C@H]([C@@H]1C[C@H]2CC[NH+]1C[C@H]2C=C)O	B	0.967999995
SN00001458	C[C@H]1C(=O)N[C@H](C(=O)N1)C[C@@H](C)C	B	0.967999995
SN00001459	C[C@@H]1C(=O)N[C@H](C(=O)N1)C[C@@H](C)C	B	0.967999995
SN00001460	C[C@H]1C(=O)N[C@@H](C(=O)N1)C[C@@H](C)C	B	0.967999995
SN00001461	C[C@@H]1C(=O)N[C@@H](C(=O)N1)C[C@@H](C)C	B	0.967999995
SN00001505	c1c(cc(c(c1F)Br)F)F	B	0.952000022
SN00001506	COc1cc2c(c(=O)cc(o2)c2ccccc2)c(c1)OC	B	0.980000019
SN00001555	C[NH+](C)CC[C@H](c1ccccc1)c1ccccn1	B	0.973999977
SN00001559	COc1cc(ccc1O)c1c(c(=O)c2c(cc(cc2o1)O)O)O	B	0.959999979
SN00001592	C/C(=C\Cn1cnc2c1c(=O)n(c(=O)n2C)C)C	B	0.95599997

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