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
SN00045320	c1ccc2c(c1)c1cc3c(cc1oc2=O)oc1c3CCCC1	B	0.952000022
SN00045322	Cc1coc2c1cc1c(c2)oc(=O)c2c1CCC2	B	0.963999987
SN00045328	Cc1coc2c1cc1ccc(=O)oc1c2	B	0.981999993
SN00045430	COc1ccc(cc1)c1nc2cc(c(cc2c(=O)o1)OC)OC	B	0.959999979
SN00045482	c1ccc(cc1)[C@@H](CCN1C(=O)CCC1=O)c1ccco1	B	0.953999996
SN00045483	c1ccc(cc1)[C@H](CCN1C(=O)CCC1=O)c1ccco1	B	0.953999996
SN00045605	C[C@@H](C)Cc1nc2ccccc2c(=O)n1c1ccc(cc1)O	B	0.970000029
SN00045633	CC[NH+](CC)CCn1c(=O)c2c(ncn2C[C@@H](CO)O)n(c1=O)C	B	0.953999996
SN00045634	CC[NH+](CC)CCn1c(=O)c2c(ncn2C[C@H](CO)O)n(c1=O)C	B	0.953999996
SN00045744	CCC(=O)Oc1ccc2c(c(c(=O)oc2c1)C)C	B	0.95599997
SN00045765	C/C(=C\COc1ccc2c3ccc(cc3c(=O)oc2c1)OC)C	B	0.952000022
SN00045854	C[NH+](C)CCn1cc(ccc1=O)C(=O)OC	B	0.95599997
SN00045997	Cc1c2ccc(cc2oc(=O)c1C[C@@H](C)O)OCc1ccccc1	B	0.953999996
SN00045998	Cc1c2ccc(cc2oc(=O)c1C[C@H](C)O)OCc1ccccc1	B	0.953999996
SN00046071	CNC(=O)Cn1cnc2c1c(=O)n(c(=O)n2C)C	B	0.959999979
SN00046122	Cc1nc2ccccc2c(=O)n1CCc1ccccc1	B	0.973999977
SN00046123	CCc1c(c2cc3c(coc3cc2oc1=O)C)C	B	0.952000022
SN00046192	C/C(=C\COc1ccc2c(c1)occ(c2=O)c1ccccc1)C	B	0.963999987
SN00046286	C[C@@](C)(C)c1coc2c1cc1c(c2)oc(=O)c2c1CCCC2	B	0.959999979
SN00046292	Cc1c(c(=O)oc2c1cc1c(c2)occ1[C@@](C)(C)C)C	B	0.963999987
SN00046295	Cc1coc2c1cc1c(c2)oc(=O)c2c1CCCCC2	B	0.958000004
SN00046336	c1c2c(cc3c1c1c(c(=O)o3)CCCCC1)oc1c2CCCC1	B	0.95599997
SN00046395	c1ccc(cc1)C[C@@H](CCN1C(=O)CCC1=O)c1ccco1	B	0.952000022
SN00046396	c1ccc(cc1)C[C@H](CCN1C(=O)CCC1=O)c1ccco1	B	0.952000022
SN00046464	C[C@@](C)(C)c1coc2c1cc1c(c2)oc(=O)c2c1CCCCC2	B	0.958000004

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