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
SN00134832	C[C@@H](C)C[C@]1(C(=O)N(C(=N1)c1ccccc1)C)C	B	0.952000022
SN00134861	C[C@@](C)(C)C(=N)[C@](C)(C)C	B	0.963999987
SN00135035	CCC[C@@]1(C(=N)N(C(=NC1=O)[O-])C)CC	B	0.963999987
SN00135036	CCC[C@]1(C(=N)N(C(=NC1=O)[O-])C)CC	B	0.963999987
SN00135047	CCC[C@]1(C(=O)NC(=O)N=C1SC)CCC	B	0.962000012
SN00135148	C[C@@]12CC[C@@H]([C@]1(C)C)/C(=C/C(=O)O[C@](C)(C)C#C)C2=O	B	0.959999979
SN00135211	C[C@@]12CC[C@H]3[C@]([C@]41[C@H](O4)C(=O)O[C@H]2c1ccoc1)(C(=O)C[C@H]1[C@]23COC(=O)C[C@@H]2O[C@]1(C)C)C	B	0.976000011
SN00135213	C[C@]12CC[C@H]([C@@]1(C)C)/C(=C/N)C2=O	B	0.981999993
SN00135244	CC[C@@]1(C(=O)NC(=NC1=S)[O-])c1ccccc1	B	0.967999995
SN00135245	CC[C@]1(C(=O)NC(=NC1=S)[O-])c1ccccc1	B	0.967999995
SN00135509	C[C@]12CC[C@H]([C@@]1(C)C)/C(=C/[C@@H](Cc1ccccc1)C(=O)[O-])C2=O	B	0.952000022
SN00135512	C[C@]12CC[C@H]([C@@]1(C)C)/C(=C/C(=O)O[C@](C)(C)C#C)C2=O	B	0.959999979
SN00135599	C[NH2+]NC	B	0.987999976
SN00135706	CC(=O)C[C@](C)(F)F	B	0.95599997
SN00135754	CCOC(=O)[C@@H]([C@](C)(F)F)Cl	B	0.959999979
SN00135755	CCOC(=O)[C@H]([C@](C)(F)F)Cl	B	0.959999979
SN00135818	C[C@@]12CC[C@@H]([C@]1(C)C)[C@H](C2=O)C(=O)c1cccc2c1cccc2	B	0.958000004
SN00135822	C[C@]12CC[C@H]([C@@]1(C)C)/C(=C\C(=O)[O-])C2=O	B	0.977999985
SN00135825	C[C@]12CC[C@H]([C@@]1(C)C)/C(=C\[C@@H](Cc1ccccc1)C(=O)[O-])C2=O	B	0.952000022
SN00135899	C[C@]12CC[C@H]([C@@]1(C)C)/C(=C\N1CCCCC1)C2=O	B	0.977999985
SN00135969	CCOC(=O)CCCCCCCCCBr	B	0.972000003
SN00135977	Cc1cc(nn1c1ccccn1)C(=O)OC	B	0.966000021
SN00136229	Cc1c(c(c(c(c1C)Br)Br)C)C	B	0.995999992
SN00136233	CCCCCCCCCCCCCCCCCC(=O)OCC	B	0.994000018
SN00136234	CCCCCCCCCCCCCCCC(=O)OCC	B	0.994000018

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