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
SN00279162	C(=O)(OC/C=C(\C)C)C	B	0.986000001
SN00279166	C(=O)(OCCCCCCCCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC	B	0.995999992
SN00279239	c12c(oc(cc2=O)c2c(cc(cc2)O)O)cc(c(c1O)C/C=C(/C)C)O	B	0.977999985
SN00279307	c1(c2c(cc(c(c2)C/C=C(\C)C)O)O)c(=O)c2c(oc1)cc(cc2)O	B	0.95599997
SN00279379	C(N)C	B	0.95599997
SN00279505	[C@H](CCOC(=O)C)(CCCC(=C)C)C	B	0.981999993
SN00279517	C(CCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCC	B	1
SN00279666	[C@H](CCCCCCCCCCCCCC)(CCCCCCCCCCCCC)O	B	0.991999984
SN00279897	c12c(c(c(c(c1O)OC)OC)OC)oc(cc2=O)c1c(cc(c(c1)OC)OC)OC	B	0.952000022
SN00280106	C([C@@H](c1c(C)cccc1)O)C(=O)OCC	B	0.963999987
SN00280107	C1(=O)[C@H]([C@H](C)C)CCC(=CCCC(=C)C1)C	B	0.963999987
SN00280227	C(=S)(N(CC)CC)N(CC)CC	B	0.973999977
SN00280237	C(=O)(OCCCCCCCCCC/C=C\CCCC)C	B	0.976000011
SN00280258	[C@@H](OC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC	B	0.95599997
SN00280333	C(CCCCCCCCCCCC)CC/C=C\CCCCCCCC	B	0.970000029
SN00280628	[C@@H](N[C@H](C)C)(C)C	B	0.980000019
SN00280650	C12=C(C(=O)C(=O)C(=C1OCO2)c1ccccc1)c1ccccc1	B	0.952000022
SN00280724	c1(c(c(c(c(c1OC)OC)OC)OC)OC)c1oc2c(c(=O)c1)c(cc(c2)OC)O	B	0.972000003
SN00280810	C(=O)(CCCCCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCC	B	0.995999992
SN00281034	[C@H]12[C@@H]([C@H](C(=O)O1)C)CC[C@H](C2)C	B	0.967999995
SN00281194	C(=O)(OCC)CC/C=C/CCCCCCCCCCC	B	0.958000004
SN00281197	[NH3+][C@@H](c1ccccc1)CC	B	0.953999996
SN00281423	C(=C\CCCCCCC=O)\CCCC[C@@H](CC)C	B	0.962000012
SN00281456	[C@@H](CCCCCCCCCCC[C@@H](CCCCCCCC)C)(CCCCCCCCCCCC)C	B	0.991999984
SN00281605	c12c(c(c(c(c1OC)OC)OC)OC)oc(cc2=O)c1c(c(c(c(c1)OC)OC)OC)OC	B	0.963999987

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