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
SN00324342	c12c(=O)c(c(oc1c(c(cc2O)O)O)c1ccccc1)O	B	0.952000022
SN00324569	C1(=O)OCCCC1	B	0.953999996
SN00324682	C(=O)(C[C@H](C)C)OC	B	0.953999996
SN00324712	[C@H]12c3c(cc(c(c3)OC)OC)CCN1C[C@@H]([C@H](C2)CC1=NCCc2c1cc(c(c2)OC)OC)CC	B	0.953999996
SN00324797	[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
SN00324815	c12c(oc(cc2=O)c2cc(c(cc2)O)O)cc(c(c1OC)O)O	B	0.962000012
SN00324818	C(=O)(OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCCCCCC	B	0.995999992
SN00324907	C(=O)([C@@H](OC(=O)C)C)OCC	B	0.972000003
SN00324947	c1(C(=O)/C=C/c2cc(c(cc2)O)O)c(O)cccc1	B	0.959999979
SN00325039	[C@@]12([C@@H]([C@@]3([C@@H](CC2)C(=O)O[C@H](C3)c2cocc2)C)[C@H]2OC(=O)[C@@]1(C=C2)O)C	B	0.963999987
SN00325041	[C@@H]1(C(=O)CC(=O)C1)CCCCCC	B	0.973999977
SN00325476	[C@@H](OC(=O)C)([C@H](Br)Br)CCCCC	B	0.966000021
SN00325481	c12c(n(c(=O)n1C)C)ncn(c2=O)C	B	0.973999977
SN00325536	C(CCCCCCCCO)CCCCCCCCC	B	0.958000004
SN00325775	C(=C\[C@H](CCCCCCCCCCCCCCCC)C)(/C(=O)OC)C	B	0.95599997
SN00325780	[C@H]1(c2cnccc2)N(CCCC1)C	B	0.962000012
SN00325846	[C@H]12[C@H]3C[C@@H](CN1C(=O)C[C@@H](C2)O)[C@@H]1N(C3)CCCC1	B	0.95599997
SN00325948	[C@@H]1([C@H]2OC(=O)[C@@H](C2)C)N(CCC1)CCCC[C@H]1OC(=O)[C@@H](C1)C	B	0.967999995
SN00326018	O(C(=O)C)CCCCCCCCCC/C=C\CC	B	0.959999979
SN00326127	[C@@H](CCCCCCCCCCCO)(CCCCC)C	B	0.962000012
SN00326242	[C@H](CCCCCCCCCCCCCCCCCCCCCC)(CCCCCCCC)O	B	0.991999984
SN00326313	C(=O)(OCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC	B	0.995999992
SN00326322	C(=O)(OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCCCC	B	0.995999992
SN00326491	C(=O)(OCCCCCCC/C=C\CCC)C	B	0.967999995
SN00326567	s1c(C#C/C=C/COC(=O)C[C@H](C)C)ccc1C	B	0.953999996

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