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
SN00075507	CCOC(=O)[C@@H](C)Oc1cc(c2c(=O)cc(oc2c1)c1ccccc1)O	B	0.953999996
SN00075508	CCOC(=O)[C@H](C)Oc1cc(c2c(=O)cc(oc2c1)c1ccccc1)O	B	0.953999996
SN00075582	Cc1c(c(=O)c2ccc(cc2o1)O)c1ccc(cc1)N	B	0.962000012
SN00075592	c1ccc(cc1)c1c(c2ccc(cc2oc1=O)O)[O-]	B	0.95599997
SN00075618	Cc1c(c(=O)oc2c1c(cc(c2)O)O)C	B	0.958000004
SN00075738	c1ccc(c(c1)c1coc2cc(ccc2c1=O)O)F	B	0.966000021
SN00075766	c1c(cc2c(c1O)c1c(c(=O)o2)CCC1)O	B	0.952000022
SN00076089	c1ccc(cc1)n1cnnc1c1coc2cc(ccc2c1=O)O	B	0.963999987
SN00076104	Cc1c(c(=O)c2ccc(cc2o1)O)c1ccc(cc1)Br	B	0.966000021
SN00076883	COc1c2c(=O)cc(oc2c(c(c1OC)O)O)c1ccccc1	B	0.972000003
SN00076990	C[C@H](C)C/C(=C\C=O)C	B	0.970000029
SN00077034	Cc1cc(c2c(n1)n(c(=O)n(c2=O)C)C)C(=O)[O-]	B	0.986000001
SN00077160	C[C@H](CCC[C@H](C)C)NC(=O)Cn1cnc2ccccc2c1=O	B	0.963999987
SN00077161	C[C@@H](CCC[C@H](C)C)NC(=O)Cn1cnc2ccccc2c1=O	B	0.963999987
SN00077179	CCCCCCCCCCCCCCCCCCC[C@H](CCCCCCCCC)O	B	0.991999984
SN00077428	Cc1ccc2c(c(cnc2n1)C(=O)[O-])O	B	0.962000012
SN00078705	Cc1c(c(=O)oc2c1cc(c(c2)O)O)C	B	0.953999996
SN00078939	c1ccc(cc1)CN1CCCn2c1nc1ccccc1c2=O	B	0.953999996
SN00079234	CN1CCn2c1nc1ccccc1c2=O	B	0.967999995
SN00082015	C[C@@H]1C[C@](N2c3c1cccc3C(=O)C2=O)(C)C	B	0.952000022
SN00082016	C[C@H]1C[C@](N2c3c1cccc3C(=O)C2=O)(C)C	B	0.952000022
SN00084345	CC(=O)Nc1ccc2c(=O)cc(oc2c1)c1ccc(cc1)OC	B	0.953999996
SN00084494	Cn1c2c(c(=O)n(c1=O)C)n1c(n2)NCC1	B	0.963999987
SN00084806	Cn1cc(c2c1cccc2C(=O)OC)C=O	B	0.959999979
SN00085768	CCCNc1nc2c(n1CC(=C)C)c(=O)n(c(=O)n2C)C	B	0.962000012

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