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
SN00162527	CC[C@H]1C[C@@H]([NH+](C[C@@H]1C=C)C)[C@@H](c1ccnc2c1cc(cc2)OC)O	B	0.952000022
SN00163742	CCCCCCCCCC#C/C=C/CCC	B	0.952000022
SN00168989	CC[C@](C)(C)/C(=C\C)C	B	0.952000022
SN00170361	C[C@]1(C(=C)[C@H]2CC[C@@]1([C@@H]2O)C=O)C	B	0.952000022
SN00177437	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(=C)C[C@@H]2O[C@]1(C)C)C	B	0.952000022
SN00213585	C1CC2(N(C(C1)CC2)C)O	B	0.952000022
SN00213611	c1(c(=O)n(c(nn1)C)N)c1ccccc1	B	0.952000022
SN00213729	c1(noc(c1)C)O	B	0.952000022
SN00213762	n1c(nc(cc1C)C)Nc1ccccc1	B	0.952000022
SN00214528	c1c(ccc(c1)c1ccc(cc1)S)S	B	0.952000022
SN00214713	c1cccc(n1)N(Cc1ccc(cc1)Cl)CC	B	0.952000022
SN00215048	C12C3C(C4C(CC3)CC(=O)C(C4)C)CCC1(C(CC2)O)C	B	0.952000022
SN00215346	O=CCCC=O	B	0.952000022
SN00215718	N1C(=O)NC(=O)C(C)C1	B	0.952000022
SN00225083	[C@@H]1([C@H](NC=C(N1)C)C)CC[C@@H](C)C	B	0.952000022
SN00225710	[C@@H]1([C@@H](CC(=O)OCC)CCC1=O)C/C=C\CC	B	0.952000022
SN00227648	[C@@H](C[C@@H](CCC)O)(CCCCCCCCCCCCCCC)O	B	0.952000022
SN00228335	c12[C@H]3[C@H]4C[C@H](n1c1c(c2CCN3C[C@@H](C4)CC)cccc1)O	B	0.952000022
SN00231039	C([C@H](CCCCCCCCCCCCCCCCCCCCC)O)[C@@H](CCCCC)O	B	0.952000022
SN00231737	C([C@H](CCCCCCCCCCCCCCC)O)[C@@H](CCCCC)O	B	0.952000022
SN00232003	[C@@H](C[C@@H](CCCCC)O)(CCCCCCCCCCCCCCCCCCCC)O	B	0.952000022
SN00232513	C(=C\CCCCC)\C=C	B	0.952000022
SN00234066	C1(=O)C(=C[C@H](O1)O)C	B	0.952000022
SN00235088	c1(CCC(=O)OCCO)ccccc1	B	0.952000022
SN00236424	C(=C\CC[C@@H](COC(=O)C)C)(/[C@@H](C)C)C/C=C(/C)C	B	0.952000022

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