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
SN00000011	C[NH+](C)CC[C@@H](c1ccc(cc1)Br)c1ccccn1	B	0.967999995
SN00000017	C[C@](c1ccccc1)(c1ccccn1)OCC[NH+](C)C	B	0.970000029
SN00000046	C[NH+](C)CC[C@@H](c1ccccc1)c1ccccn1	B	0.973999977
SN00000051	C[C@@H]1[C@@H]2CC[C@@]3(C=CC(=O)C(=C3[C@@H]2OC1=O)C)C	B	0.981999993
SN00000074	c1ccc(cc1)C(=O)[O-]	B	0.986000001
SN00000077	c1ccc(cc1)COC(=O)c1ccccc1	B	0.984000027
SN00000083	Cn1cnc2c1c(=O)n(c(=O)n2C)C	B	0.986000001
SN00000099	c1cc2c(cc1O)oc1c2c(=O)oc2c1ccc(c2)O	B	0.95599997
SN00000110	CC[N@+](C)(C)c1cccc(c1)O	B	0.952000022
SN00000116	CCOC(=O)c1cncn1[C@H](C)c1ccccc1	B	0.959999979
SN00000124	Cc1c(cccc1Nc1c(cccn1)C(=O)[O-])[C@](F)(F)F	B	0.952000022
SN00000161	c1cc(ccc1O)Cl	B	0.952000022
SN00000164	C1CCc2nnnn2CC1	B	0.967999995
SN00000167	c1ccc(cc1)CC(=O)NC(=O)N	B	0.95599997
SN00000172	c1cc2c(cc1C=O)OCO2	B	0.953999996
SN00000174	CC[C@@]1(C(=O)NCNC1=O)c1ccccc1	B	0.962000012
SN00000183	C=CCc1ccc2c(c1)OCO2	B	0.95599997
SN00000189	COc1cc2ccc(=O)oc2cc1OC	B	0.976000011
SN00000192	c1ccnc(c1)N[S@](=O)(=O)c1ccc(cc1)N	B	0.970000029
SN00000241	Cc1c(c(=O)ccn1C)O	B	0.981999993
SN00000243	c1cc(ccc1N)[S@@](=O)(=O)c1ccc(cc1)N	B	0.953999996
SN00000254	c1cc(c(cc1c1c(c(=O)c2cc(ccc2o1)O)O)O)O	B	0.959999979
SN00000285	C[C@H](C)[NH2+]C[C@H](COc1cccc2c1cccc2)O	B	0.952000022
SN00000296	C[C@@H]([C@H](c1ccccc1)O)[NH2+]C	B	0.977999985
SN00000298	C/C(=C\Cc1c(cc(c2c1oc(cc2=O)c1ccc(cc1)O)O)O)C	B	0.976000011

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