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
SN00043227	CCOc1ccc2c(c1)occ(c2=O)c1ccccc1	B	0.958000004
SN00043302	c1ccc2c(c1)c(=O)cc(o2)c1ccc2c(c1)OCO2	B	0.95599997
SN00043312	Cc1nc2ccccc2c(=O)o1	B	0.959999979
SN00043446	c1ccc2c(c1)c(=O)n1c(n2)OCC1	B	0.967999995
SN00043528	c1ccc(cc1)CN1CCn2c1nc1ccccc1c2=O	B	0.95599997
SN00043547	c1ccc(cc1)c1nc2ccccc2c(=O)n1O	B	0.959999979
SN00043567	C[C@H](C)[C@@H]1C(=O)NCC(=O)N1	B	0.967999995
SN00043575	C[C@]1([C@H](CC(=O)O1)C(=O)[O-])C	B	0.953999996
SN00043576	C[C@@]1([C@@H](CC(=O)O1)C(=O)[O-])C	B	0.953999996
SN00043622	CC[C@@H](C)N=C=S	B	0.972000003
SN00043692	Cn1cc(c(=O)c2c1cccc2)c1ccc2ccccc2n1	B	0.952000022
SN00043735	c1ccc2c(c1)cc(o2)c1cc(=O)c2cc(ccc2o1)Br	B	0.952000022
SN00043737	COc1ccc2c(c1)occ(c2=O)c1ccc(cc1)Br	B	0.963999987
SN00043763	c1ccc2c(c1)c(=O)cc(o2)c1ccc2c(c1)OCCO2	B	0.959999979
SN00043777	Cc1nc2ccccc2c(=O)n1CCCn1cc[n+]c1	B	0.959999979
SN00043910	Cc1c(c(=O)c2ccc(cc2o1)OC)c1ccc(cc1)OC	B	0.958000004
SN00043922	C[C@@H](C)Oc1ccc2c(c1)occ(c2=O)c1ccc(cc1)F	B	0.953999996
SN00044347	c1cc2cc(ccc2nc1)C=O	B	0.958000004
SN00044373	Cc1cc2cc(c(cc2c(n1)C)OC)OC	B	0.958000004
SN00044425	C[C@@H](C(=O)[O-])n1cnc2ccccc2c1=O	B	0.952000022
SN00044426	C[C@H](C(=O)[O-])n1cnc2ccccc2c1=O	B	0.952000022
SN00044465	Cn1ccc(=O)c2c1cccc2	B	0.986000001
SN00044561	C[C@@H](C)CCn1c2c(nc1N(C)C)n(c(=O)n(c2=O)C)C	B	0.958000004
SN00044593	CC[C@H](CC)NC(=O)Cn1cnc2c1c(=O)n(c(=O)n2C)C	B	0.973999977
SN00044691	c1ccc(cc1)C[NH+]c1cccccc1=O	B	0.959999979

Page 18 of 163