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
SN00391170	C(=C(\CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/C)C)C)C)C)C)\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CO)C)C)C)C	B	0.95599997
SN00391287	C(=O)(O[C@@H](CC)C)CCCCCCCCCCC	B	0.986000001
SN00391380	c12c3c4c(C[C@@H]1N(C[C@@H](c2cc(c3OC)OC)O)C)cc(c(c4)OC)OC	B	0.958000004
SN00391441	c12c([C@H]([C@](C1=O)(C)C)O)cc1c(c2C)CCOC1=O	B	0.958000004
SN00391502	C(=O)(O[C@H](CCCCCCCCCC)C)C	B	0.986000001
SN00391510	[C@H]1(C(=O)[C@H](CC[C@H]1C)[C@H](C)C)[S@@](=O)(=O)[O-]	B	0.952000022
SN00391578	c12c(c(c(c(c1C)O)C)O)c(=O)cc(o2)c1ccccc1	B	0.977999985
SN00391588	C1(=O)[C@H]([C@H](C)C)CCC(=CCCC(=C)C1)C	B	0.963999987
SN00391596	c1([C@H](C)C)ccc(cc1)O	B	0.958000004
SN00391679	[C@H](CC(=O)OCC[C@@H](C)C)(CC/C=C(/C)C)C	B	0.966000021
SN00391754	c12c(oc3c(c1=O)c(c(c(c3)O)C/C=C\CC)O)oc1c2ccc(c1)O	B	0.952000022
SN00391784	[C@@]123[C@H]4[C@]5([C@H](C(=C)[C@H](C5)CC4)O)CC[C@@H]1[C@@](CN1[C@@H]2OCC1)(CCC3)C	B	0.953999996
SN00391789	C(=C\CCCCCCCC=O)/CCCC	B	0.959999979
SN00392039	c1(OC(=O)C)ccccc1	B	0.952000022
SN00392094	C(=O)(OCCCCCCC/C=C/CCC)C	B	0.967999995
SN00392225	c12c(oc3c(c1=O)cccc3)cc1c(c2)OCO1	B	0.967999995
SN00392472	C1(=C(C(=O)C(=C(C1=O)Br)Br)Br)Br	B	0.981999993
SN00392499	O(C(=O)CC)[C@@H](c1ccccc1)C	B	0.998000026
SN00392556	[C@H](CCCCCCCCCCCCCCCCCCCCCCCCCCC)(CC)C	B	0.995999992
SN00392565	C(=O)(CC[C@@H](CCCCC)O)OCCCCCCCCCCC	B	0.976000011
SN00392579	[C@]12([C@@H](O1)[C@@H]1[C@@H]([C@@H](CC(=CCC2)C)O)C(=C)C(=O)O1)C	B	0.953999996
SN00392618	C(=O)(c1ccccc1)NCCC	B	0.959999979
SN00392732	c12c(c(=O)c3c(n1C)cccc3)c(cc(c2OC)OC)OC	B	0.95599997
SN00392737	N#CCOCC	B	0.952000022
SN00392909	[C@@H]1([C@H](c2c3c(ccc(c3)O)ncc2)O)N2C[C@@H]([C@H](C1)CC2)C=C	B	0.95599997

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