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
SN00289406	C(=O)(Cl)[C@H](C)C	B	0.972000003
SN00289652	C(=O)(O[C@@H](COC(=O)C)COCCCCCCCCCCCCCCCC)C	B	0.99000001
SN00289730	[C@@]123[C@]4([C@@H]([C@]56[C@H](CC4=O)[C@@](O[C@@H]5CC(=O)OC6)(C)C)CC[C@]1([C@H](c1cocc1)OC(=O)[C@H]2O3)C)C	B	0.976000011
SN00289873	[C@H](OC(=O)CCCCCCCCC)(CO[P@](=O)(O)O)COC(=O)CCCCCCCCC	B	0.958000004
SN00289907	C(=C\CCCCC/C=C/CCCCCCCCCC)(/C)C	B	0.95599997
SN00289941	C(CCCCCCC=O)CC/C=C\CCCC	B	0.959999979
SN00289945	[C@@H](CCC[C@@H](CCCCCCCCCCC)C)(CCCCCCCCCCCCCCCCCCCC)C	B	0.991999984
SN00289982	[C@]12(C(=C(CCC2)C)[C@@H]2[C@H](CC1)[C@H](C(=O)O2)C)C	B	0.959999979
SN00290006	[C@H](OC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCC	B	0.986000001
SN00290378	C(CCCCCCCCCCCCCC)CCCCCCCCCC/C=C\CC	B	0.958000004
SN00290420	C(=O)(OCCCCCCCCC/C=C\CCCC)C	B	0.976000011
SN00290495	C(/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C\CO)C)C)C)C)C)C)C/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/C)C)C)C)C)C)C	B	0.953999996
SN00290505	[C@H](OC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)COCCCCCCCCCCCCCCCC	B	0.99000001
SN00290957	c12c3c(oc(=O)c1oc1c(c2=O)ccc2c1CCO2)cc(c(c3)OC)OC	B	0.95599997
SN00291051	C1(=C([C@H]([C@@H](C1=O)C/C=C(/C)C)O)O)C(=O)C[C@@H](C)C	B	0.966000021
SN00291084	c12c(=O)c3c(oc1cc(c(c2)OC)OC)cc(c(c3)OC)OC	B	0.984000027
SN00291428	C(=C\CCCCCC=O)/CCCC	B	0.958000004
SN00291513	[C@@H](CCCCCCCCCCCCCCCCCCCCCCCCCCCCCO)(CC)C	B	0.963999987
SN00291639	[C@H](CCCC)(C)C	B	0.994000018
SN00291684	C(=O)(CCCCCC[C@@H](CCCCCCCCC)O)OCCCCCCCCCC	B	0.981999993
SN00291869	C1(=C([C@@]([C@H](C1=O)C/C=C(\C)C)(C(=O)C/C=C(\C)C)O)O)C(=O)C[C@@H](C)C	B	1
SN00291908	c12c(c(cc(c1)OC)OC)c(=O)cc(o2)C	B	0.959999979
SN00291962	c1(c2c(=O)c3c(oc2)cc(cc3)OC)cc(c(c(c1)O)OC)O	B	0.959999979
SN00292032	C(C/C=C\CCCC=O)C/C=C\CCCC	B	0.95599997
SN00292070	[C@]12([C@]([C@H]3C[C@@H]1[C@@H]2C3)(C(=O)C)C)C	B	0.962000012

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