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
SN00044730	Cc1coc2c1cc1c(c2)oc(=O)c2c1CCCC2	B	0.962000012
SN00044773	COc1ccc2c3ccc(cc3oc(=O)c2c1)OC	B	0.972000003
SN00044849	Cn1c2ccncc2nc1c1cc(c(c(c1)OC)OC)OC	B	0.962000012
SN00044931	C[C@]1([C@H]2CC[C@](C2)(C1=O)C(=O)[O-])C	B	0.970000029
SN00044932	C[C@@]1([C@@H]2CC[C@@](C2)(C1=O)C(=O)[O-])C	B	0.970000029
SN00044952	C[C@@]1(CC(=O)[C@H](CO1)[C@]1(c2ccccc2N(C1=O)C)O)C	B	0.952000022
SN00044953	C[C@@]1(CC(=O)[C@@H](CO1)[C@]1(c2ccccc2N(C1=O)C)O)C	B	0.952000022
SN00044954	C[C@@]1(CC(=O)[C@H](CO1)[C@@]1(c2ccccc2N(C1=O)C)O)C	B	0.952000022
SN00044955	C[C@@]1(CC(=O)[C@@H](CO1)[C@@]1(c2ccccc2N(C1=O)C)O)C	B	0.952000022
SN00044959	CCCc1nc2ccccc2c(=O)o1	B	0.958000004
SN00045086	C[C@H]1C(=O)Nc2c(c3ccccc3n(c2=O)C)O1	B	0.95599997
SN00045087	C[C@@H]1C(=O)Nc2c(c3ccccc3n(c2=O)C)O1	B	0.95599997
SN00045099	Cn1c2c(nc1Oc1ccc3c(c1)OCO3)n(c(=O)n(c2=O)C)C	B	0.953999996
SN00045117	Cc1c2ccccc2nc(n1)Nc1nc(=O)c2ccccc2n1C	B	0.967999995
SN00045130	CC(=C)Cn1cnc2c1c(=O)n(c(=O)n2C)C	B	0.986000001
SN00045163	Cc1c(c(=O)oc2c1ccc(c2)O)C	B	0.981999993
SN00045170	Cc1c(c(=O)oc2c1ccc(c2)OC/C=C(\C)C)C	B	0.962000012
SN00045190	c1c2c(cc3c1c1c(c(=O)o3)CCC1)oc1c2CCCC1	B	0.95599997
SN00045191	c1cc(=O)oc2c1cc1c(c2)oc2c1CCCC2	B	0.963999987
SN00045201	CCOC(=O)[C@H](C)O	B	0.976000011
SN00045207	C[C@H](C)[C@H]1C(=O)NC(=O)N1	B	0.963999987
SN00045208	C[C@H](C)[C@@H]1C(=O)NC(=O)N1	B	0.963999987
SN00045283	C/C(=C\COc1ccc2c3ccccc3c(=O)oc2c1)C	B	0.953999996
SN00045312	Cc1c(oc2c1cc1ccc(=O)oc1c2)C	B	0.958000004
SN00045315	Cc1c(oc2c1cc1c(c2)oc(=O)c2c1CCCC2)C	B	0.953999996

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