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
SN00293745	c12c(c(c(cc2OC)O)C/C=C(\C)C)oc(c(c1=O)O)c1ccc(cc1)O	B	0.952000022
SN00293897	c1(c2c(=O)c3c(oc2)cc(cc3)OC)c(cc(c(c1)OC)OC)OC	B	0.95599997
SN00293941	[C@@H](CCC)(CCC)C	B	0.970000029
SN00293992	N(C[C@@H](C)C)C	B	0.966000021
SN00293997	[C@@H]12[C@](C=CC(=O)C(=CCCC(=C1)C(=O)O2)C)(C)C	B	0.95599997
SN00294052	C(=O)([C@H](Br)Br)OCC	B	0.958000004
SN00294209	c12c(oc(c(c1=O)O)c1ccc(cc1)OC)cc(c(c2O)OC)O	B	0.95599997
SN00294251	C(=O)(OCCCCCC/C=C/CCCC)C	B	0.976000011
SN00294254	[C@H](CCCCCCCCCCCCCCCCCC)(CC)C	B	0.995999992
SN00294334	[C@H](CCCCCCCCCCCCCCCCCCCCCCCCCCCCC)(C)C	B	0.995999992
SN00294399	[C@H]12[C@H]3N(C[C@H](C1)[C@@H]1N(C2)CCCC1)CC[C@@H](C3)O	B	0.973999977
SN00294439	[C@H](CCCCCCCCCCCCCCCCCCCCCCCCC)(C)C	B	0.995999992
SN00294440	[C@]12(c3c(NC1=O)cccc3)O[C@H](N(CC2)C)C	B	0.95599997
SN00294493	[C@@H](CCCC=O)(CCCC)C	B	0.986000001
SN00294665	[C@@H](OC(=O)C)(CCCCC)C=C	B	0.976000011
SN00294707	c1(cc(C(=O)CCCCCCCCC)cnc1)C(=O)CCCCCCCCC	B	0.959999979
SN00294848	C([C@H](CCCCCCCCCCCCCC)C)[C@@H](CCCCCCCCCCCC)C	B	0.986000001
SN00294885	C1(=CC=C(CCC=C(CCC=C(CC1)C)C(=O)O)C)[C@@H](C)C	B	0.95599997
SN00294979	c12c3c(n(c(=O)c1C=C[C@@](O2)(C)C)C)cc(c(c3)OC)OC	B	0.958000004
SN00295004	n1ccncc1	B	0.984000027
SN00295007	c12c(c(cc1)C=O)cocc2C	B	0.958000004
SN00295029	C(/C(=C/CC/C(=C\CO)C)C)C/C=C(/CC/C=C(/C)C)C	B	0.963999987
SN00295031	C12=C(C(=O)C[C@H]1[C@H](C[C@H]1[C@H]([C@@H]2O)C(=C)C(=O)O1)C)C	B	0.95599997
SN00295142	N=O	B	0.952000022
SN00295222	[C@]12([C@H]([C@@H](C[C@@H]3[C@@H](C1)C(=C)C(=O)O3)C)CCC2=O)C	B	0.952000022

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