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
SN00119120	Cc1c(c(c(c(c1C)C)Br)C)C	B	0.962000012
SN00119122	c1ccc(cc1)N1C(=O)CSC1=S	B	0.966000021
SN00119123	Cc1cc(c(c(c1C)I)C)C	B	0.958000004
SN00119126	Cn1c2ccccc2c2c1CCCC2	B	0.976000011
SN00119158	C[C@@](C)(C)c1cc(cc(c1)[C@](C)(C)C)C=O	B	0.967999995
SN00119177	c1ccc2=c3ccccc3=c2c1	B	0.981999993
SN00119349	Cc1c(n(c2c1cccc2)c1ccccc1)C	B	0.959999979
SN00119354	CC[NH+](CC)CC	B	0.994000018
SN00119369	CSc1nc2ccccn2c(=O)n1	B	0.972000003
SN00119379	CN(c1ccccc1)NC(=S)N	B	0.967999995
SN00119389	c1ccc(cc1)CN1CCCCCC1=O	B	0.959999979
SN00119411	CC1=NN(CC1)c1ccccc1	B	0.962000012
SN00119421	CC[C@@]1(C(=O)NC(=S)N(C1=O)C)CC	B	0.958000004
SN00119464	Cc1c(c(c(c(c1OC)C)C)OC)C	B	0.987999976
SN00119493	CC(=O)NN(C)c1ccccc1	B	0.977999985
SN00119497	c1ccc2c(c1)n1c3c(cccn3)c(=O)nc1s2	B	0.953999996
SN00119515	CC(=O)N1c2ccccc2C(=O)C1=O	B	0.959999979
SN00119517	C[N@@+](C)(C)CCOC(=O)CCC(=O)OCC[N@+](C)(C)C	B	0.980000019
SN00119521	C(C[NH3+])C[NH3+]	B	0.963999987
SN00119525	CCCCCCCCCC[NH3+]	B	0.970000029
SN00119545	C[C@@H](CCC[C@H](C)C)CCO	B	0.973999977
SN00119577	Cc1cc2ccccc2c(c1C)Br	B	0.967999995
SN00119604	CCOC(=O)[C@@H](C)[C@](c1ccccc1)(c1ccccc1)O	B	0.977999985
SN00119613	CCCCOC(=O)c1ccccc1Cl	B	0.962000012
SN00119614	CCCCCOC(=O)c1ccccc1Cl	B	0.966000021

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