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
SN00233901	[C@@H]1([C@H](N1)C(=O)OCC)C(=O)OCC	B	0.95599997
SN00233970	[C@@]1(C(=C(CC[C@H]1C)C)/C=C/C(=O)C)(C)C	B	0.953999996
SN00234066	C1(=O)C(=C[C@H](O1)O)C	B	0.952000022
SN00234080	[C@H](CCCCCCCCC[C@@H](CCCCCCCCCCC)C)(CCCCCCCCCCCCC)C	B	0.991999984
SN00234113	[C@@]1(C(=O)c2c(NC1=O)cccc2)(CCCCCCC)O	B	0.95599997
SN00234257	c12c(oc(cc1=O)C)cc(c(c2)CC(=O)C)O	B	0.959999979
SN00234269	[C@@H](OC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC	B	0.986000001
SN00234450	C(=O)(CCCCC/C=C/CCCCCC)C	B	0.959999979
SN00234470	C(=O)(CCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCC	B	0.995999992
SN00234474	C(C(=O)C)CCCCCCCCCCCCCCCC/C=C\CCCCCCCCCCCCC	B	0.962000012
SN00234538	[C@@H](CCC[C@@H](CCCCCCCCCCCCC)C)(CCCCCCCCCCCCCCCCCCCCCCCC)C	B	0.991999984
SN00234566	[C@H](CCO)(CC)C	B	0.963999987
SN00234589	[C@H](C[C@@H](C)C)(OC)OC	B	0.986000001
SN00234750	[S@](=O)(=O)(OCCCCCCC[C@H](C)C)[O-]	B	0.959999979
SN00234892	c12c(c(ccc(c2)C(=O)C)C)ccc1C	B	0.959999979
SN00234972	S(SCC)CC	B	0.958000004
SN00235088	c1(CCC(=O)OCCO)ccccc1	B	0.952000022
SN00235315	c12c(c(=O)cc(o1)c1c(ccc(c1)O)O)c(cc(c2)O)O	B	0.967999995
SN00235466	c12c(c(c(cc2O)O)O)occ(c1=O)c1ccc(cc1)O	B	0.958000004
SN00235513	[C@](OCC)(CC)(C)C	B	0.959999979
SN00235546	[C@@H](CCCCCCCCC[C@H](CCCCCCCCCCC)C)(CCCCCCCCCCCCC)C	B	0.991999984
SN00235558	C([C@H](C)C)CCCCCCCCCCCCCCCCCCCCCCCCCCC	B	0.995999992
SN00235585	[C@H](OC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC	B	0.986000001
SN00235762	c12c(c(c(c(c1OC)OC)OC)CCN(C)C)ccc1c2cccc1	B	0.953999996
SN00235776	[C@@H]1(C(=O)N[C@H](C(=O)N1)C)C	B	0.959999979

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