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
SN00381707	c12c(c(c(c(c1O)O)OC)OC)oc(cc2=O)c1ccc(cc1)OC	B	0.966000021
SN00382248	[C@]12([C@@H](O1)[C@@H]1[C@@H]([C@H](CC(=CCC2)C)OC(=O)C)C(=C)C(=O)O1)C	B	0.953999996
SN00382364	C(#C)/C=C\CCCCCCCC/C=C\C#C	B	0.952000022
SN00382383	n1(c(cc(=O)c2c1cccc2)CCCCCCCCCO)C	B	0.962000012
SN00382420	C1(=C(C(=O)C=CC1=O)O)O	B	0.958000004
SN00382476	C(=O)(OCCCCCCCC/C=C\CCCCCC)C	B	0.976000011
SN00382507	N#CCC[C@H](C)C	B	0.973999977
SN00382574	[C@H](CCCCCCC)(CCCCC)C	B	0.991999984
SN00382662	[C@H](CCCCCCCCCCCCCCCCC)(CCCCCCCCC)C	B	0.991999984
SN00382720	[C@H]([C@@H](CCC)C)(O)CCCC	B	0.963999987
SN00383054	c12c(c(c(cc1oc(cc2=O)c1ccc(cc1)OC)OC)OC)OCC=C	B	0.970000029
SN00383094	[C@@](c1ccccc1)([C@@H](CN)C)(Cc1ccccc1)OC(=O)CC	B	0.972000003
SN00383162	c12c3c(ccc1cco2)cccc3	B	0.95599997
SN00383189	C(=O)(/C=C/CCCC)C	B	0.976000011
SN00383226	c1(CCOCC)ccccc1	B	0.972000003
SN00383228	[C@@H](C[C@@H](CCCCC)O)(CCCCCCCCCCCCCCCCCCCCCCCC)O	B	0.952000022
SN00383274	n1noo1	B	0.952000022
SN00383305	c1(cc(=O)c2c(o1)cc(cc2OC)OC)c1c(cc(cc1)OC)OC	B	0.973999977
SN00383381	[C@H](CCC)(CC)C	B	0.976000011
SN00383431	O([C@@H](CC)CCCCCC)CC	B	0.99000001
SN00383452	C(C[C@H](CC)C)C[C@@H](CCCCCCCCCCCC)C	B	0.991999984
SN00383521	[C@H]12c3c(C[C@H](N1C)CC2)oc(cc3=O)C	B	0.959999979
SN00383522	[C@H]([C@@](C=C)(C)C)(OC(=O)CC)/C=C(\C)C	B	0.963999987
SN00383654	[C@@H](/C=C\CC(=C)C)(C=C)C	B	0.962000012
SN00383775	c12c(=O)c3c(oc1cccc2O)c(ccc3)O	B	0.953999996

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