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
SN00396909	O=C(CCCCCCCCCCCC/C=C\CCCCC/C=C/CCCCCCCCCCCCCC)C	B	0.962000012
SN00397090	[C@]12([C@@H]([C@@H]3[C@H](CC2)[C@]2([C@H](C[C@H]3O)C[C@H](CC2)O)C)CC[C@H]1[C@H](CCC(=O)O)C)C	B	0.952000022
SN00397188	O1C(=O)CC[C@@H]([C@@H]1C)C	B	0.972000003
SN00397202	c1(c2c(=O)oc3c(c2)cc2c(c3)occ2)c(cc(c(c1)OC)OC)OC	B	0.959999979
SN00397250	[C@]12([C@H](CC[C@H]1C)[C@H](C)C)C[C@@H](C(=C)C=C2)O	B	0.953999996
SN00397251	C(=O)(OCCCCCCCC/C=C\CCCCCCCC)CCCCCCC/C=C\CCCCCCCC	B	0.976000011
SN00397457	[C@@]12([C@H]([C@H](C[C@@H]3[C@H](C1)C(=C)C(=O)O3)C)CCOC2=O)C	B	0.952000022
SN00397541	C(=C(\CC/C=C(/C)C)C)/CC/C(=C/CN)C	B	0.959999979
SN00397734	c12c(c(ccc(c2)[C@@](O)(C)C)C)ccc1C=O	B	0.958000004
SN00397735	[C@H](CCCCCCCCCCCCCCCCCCCC)(CCCCCCCCC)O	B	0.991999984
SN00397775	C(CCCCCCCCC=O)CCCC/C=C\CCCC	B	0.962000012
SN00397791	c1(c(c(c(c2c1c(ncc2)C)OC)OC)OC)OC	B	0.970000029
SN00398010	C([C@H](CCCCCCCCCCCCCCCCC)O)[C@@H](CCCCC)O	B	0.952000022
SN00398044	[C@@H]1(OC(=O)C[C@@H](C1)O)C	B	0.95599997
SN00398152	C(=O)OCCCCCC/C=C\CCCCCCCC	B	0.972000003
SN00398190	[C@@]12(C(=C(CCC2)C)C(=O)[C@@H](CC1)[C@@H](C)C)C	B	0.970000029
SN00398252	O([C@@H](CCC)CCC)C(=O)C/C=C\CCCCCCCCCCCCCC	B	0.963999987
SN00398293	C(C[C@@H](CCCC)C)C[C@@H](CCCCCCCC)C	B	0.991999984
SN00398517	[C@H](CC/C=C(\C)C)(O)C	B	0.976000011
SN00398709	[C@H](CCCCCCCCCCCCCCCC)(CCCCCC)C	B	0.991999984
SN00398988	c12c(oc(c(c1=O)OC)c1ccc(cc1)O)cc(c(c2O)C/C=C(\C)C)O	B	0.958000004
SN00399073	[C@H]([C@@H](C=S=O)C)(C=S=O)C	B	0.959999979
SN00399121	C(=O)(/C=C/CCCCCCCCC)OCC	B	0.966000021
SN00399156	[C@@H]12[C@@H]3N(C[C@H](C2)[C@@H]2N(C1)C(=O)CCC2)CCCC3	B	0.95599997
SN00399167	C(=C\CCCCCCCCCCCC=O)/CCCC	B	0.962000012

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