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
SN00021234	c1ccc(c(c1)C=O)O[C@H]1[C@@H]([C@@H]([C@H]([C@H](O1)CO)O)O)O	B	0.962000012
SN00024260	CCOC(=O)c1cncn1[C@@H](C)c1ccccc1	B	0.959999979
SN00024263	CCC[C@@H](C)[C@@]1(C(=NC(=S)NC1=O)[O-])CC=C	B	0.966000021
SN00024269	c1cc2c(=O)cc(oc2cc1O)c1cc(c(c(c1)O)O)O	B	0.984000027
SN00024306	c1cc(c(cc1c1cc(=O)c2c(cc(cc2o1)O)O)O)O	B	0.995999992
SN00024336	c1cc(ccc1c1coc2cc(cc(c2c1=O)O)O)O	B	0.972000003
SN00024337	c1cc(ccc1c1coc2cc(ccc2c1=O)O)O	B	0.995999992
SN00024338	COc1ccc(cc1)c1coc2cc(ccc2c1=O)O	B	0.973999977
SN00024340	c1ccc(cc1)/N=N/c1ccc(nc1N)N	B	0.967999995
SN00024371	CCCCN(CCCC)[C@@](N(CCCC)CCCC)(F)F	B	0.95599997
SN00028859	CC1=CCCC2=C[C@H]([C@](C=CC1=O)(C)C)OC2=O	B	0.95599997
SN00028860	CC1=CCCC2=C[C@@H]([C@@](C=CC1=O)(C)C)OC2=O	B	0.95599997
SN00029026	C[C@@]12CC[C@@H]3C(=O)O[C@@H](C[C@]3([C@@H]1[C@H]1C=C[C@@]2(C(=O)O1)O)C)c1ccoc1	B	0.963999987
SN00029423	C[C@@H]1C[C@H](OC1=O)C/C(=C/C[C@H]1COC(=O)C1=C)C	B	0.953999996
SN00029424	C[C@H]1C[C@H](OC1=O)C/C(=C/C[C@H]1COC(=O)C1=C)C	B	0.953999996
SN00029425	C[C@@H]1C[C@@H](OC1=O)C/C(=C/C[C@H]1COC(=O)C1=C)C	B	0.953999996
SN00029426	C[C@H]1C[C@@H](OC1=O)C/C(=C/C[C@H]1COC(=O)C1=C)C	B	0.953999996
SN00029804	C[C@@H]1[C@@H]2CC[C@@]3([C@]4(O3)CC=C([C@@H]4[C@H]2OC1=O)C)C	B	0.966000021
SN00029805	C[C@@H]1[C@@H]2CC[C@@]3([C@]4(O3)CC=C([C@H]4[C@H]2OC1=O)C)C	B	0.966000021
SN00029806	C[C@@H]1C[C@H]2[C@H](C[C@]3([C@H]1CCC3=O)C)C(=C)C(=O)O2	B	0.952000022
SN00029845	C/C(=C\COc1c(cc(cc1OC)C=O)OC)C	B	0.966000021
SN00030708	Cn1c2c(ccc3c2c(=O)n(c3=O)CC[NH+](C)C)c2c1nccc2	B	0.959999979
SN00033694	COc1c(cc2c(c1O)c(=O)c1ccc(cc1o2)O)O	B	0.963999987
SN00033769	C[C@@H]1C[C@H]2[C@@H](C[C@]34[C@@H]1CC[C@]3(O4)C)C(=C)C(=O)O2	B	0.962000012
SN00033770	C[C@H]1C[C@H]2[C@@H](C[C@]34[C@@H]1CC[C@]3(O4)C)C(=C)C(=O)O2	B	0.962000012

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