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
SN00001602	C[C@H]1[C@H]2CC[C@@]3(C=CC(=O)C(=C3[C@@H]2OC1=O)C)C	B	0.981999993
SN00001758	c1ccc(cc1)c1coc2ccccc2c1=O	B	0.991999984
SN00001778	COc1ccc2c(c1)c(ccn2)[C@H]([C@H]1C[C@H]2CC[NH+]1C[C@H]2C=C)O	B	0.967999995
SN00001779	C[NH+](C)CC[C@H](c1ccc(cc1)Br)c1ccccn1	B	0.967999995
SN00001810	c1cc(c(cc1/C=C/1C(=O)c2ccc(cc2O1)O)O)O	B	0.95599997
SN00001827	COc1cc2c(ccc(=O)o2)c(c1OC)OC	B	0.972000003
SN00001857	COc1c(cc2c(c1O)c(=O)c(co2)c1ccc(cc1)O)O	B	0.953999996
SN00001860	CC[C@H](C)c1cnc(c(=O)n1[O-])C[C@@H](C)C	B	0.95599997
SN00001896	Cc1c(c(=O)n(c(n1)N)N)Br	B	0.966000021
SN00001899	C[C@H]1CC[C@@H]([C@H](C1)O)[C@@H](C)C	B	0.966000021
SN00001900	C[C@@]12CC[C@@H]([C@]1(C)C)CC2=O	B	0.958000004
SN00001909	C[C@@H]1CC[C@H](C(=O)C1)[C@H](C)C	B	0.991999984
SN00001915	COc1ccc2c(c1)occ(c2=O)c1ccc(cc1)O	B	0.973999977
SN00001959	c1cc(ccc1c1cc(=O)c2cc(ccc2o1)Br)Br	B	0.962000012
SN00001966	c1cc(c(cc1Br)F)C=O	B	0.952000022
SN00001974	COc1cc2c(c(=O)cc(o2)c2ccc(cc2)O)c(c1OC)O	B	0.963999987
SN00001995	Cn1c2ccccc2c(=O)c(c1[O-])c1ccccc1	B	0.962000012
SN00001998	Cc1c(ccoc1=O)O	B	0.962000012
SN00002002	COc1ccc2c(c1)c(ccn2)[C@H]([C@H]1C[C@@H]2CC[NH+]1C[C@@H]2C=C)O	B	0.967999995
SN00002010	Cc1cc(n(n1)C(=O)C)C	B	0.972000003
SN00002028	C[C@]1(CCC[C@]([NH+]1C)(C)C)C	B	0.962000012
SN00002030	C1COC1=O	B	0.972000003
SN00002031	C[C@@H]1CC[C@H]([C@@H](C1)O)[C@@H](C)C	B	0.966000021
SN00002046	C/C(=C\CC/C(=C/CO)C)C	B	0.952000022
SN00002070	CC[C@@H](C)C(=O)C(=O)[O-]	B	0.958000004

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