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
SN00275215	[C@@H](CC)(S)C	B	0.981999993
SN00275279	c1(ccccc1)CCCO	B	0.963999987
SN00275286	O[C@H](CCCCCCCCCC)C	B	0.981999993
SN00275408	c1(c2oc3c(c(=O)c2)cccc3)cc(c(c(c1)OC)OC)OC	B	0.952000022
SN00275563	C(=O)([C@@H](C)C)CC[C@H](C=C)C	B	0.958000004
SN00275605	c1([C@H](C)C)cc(=O)occ1	B	0.952000022
SN00275624	[C@H](CCCCCCCCCCCCCCCCCCCCC)(CC)C	B	0.995999992
SN00275629	c12c(cc3c(c1)OCO3)occc2=O	B	0.952000022
SN00275711	C(COC)OC	B	0.953999996
SN00275903	[C@]12(N(C(=O)CC1)CCC2)O[C@H](OCC)C	B	0.972000003
SN00275930	c1(c2c(c(c3c1OCO3)OC)C[C@H]1[C@@H](C2)C(=O)OC1)c1cc(c(c(c1)OC)OC)OC	B	0.963999987
SN00276026	C(CCCCCCCCCCCCCC)CCCC/C=C\CCCCCCCC	B	0.970000029
SN00276178	c1(c(=O)c2c(oc1)cc(c(c2)OC)OC)c1cc(c(c(c1)OC)OC)OC	B	0.980000019
SN00276238	[C@]12([C@@](C(=O)CO)(CC[C@H]1[C@H]1[C@H]([C@]3(C(=CC(=O)CC3)CC1)C)[C@@H](C2)O)O)C	B	0.95599997
SN00276302	c12c(c3c(o2)cc(cc3)O)c(=O)oc2c1c(cc(c2)O)O	B	0.952000022
SN00276370	[C@@]1([C@H]2[C@@H](C(=O)C[C@@H]1C2)C)(C)C	B	0.952000022
SN00276406	[C@@H](CCCCCCCCCCCCCC)(CCCCCCCCCCCCCC)C	B	0.991999984
SN00276433	[C@@]12([C@H](O1)[C@@H]1[C@H](C(=C)C(=O)O1)CCC(=CCC2)C)C	B	0.973999977
SN00276454	C(=O)(OCCCCCCCCC[C@H](CC)C)C	B	0.995999992
SN00276534	[C@H]([C@H](CCC)C)(O)CCCC	B	0.963999987
SN00276600	[C@@H](OC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC	B	0.986000001
SN00276605	C(=C\CCCCCCCCCCCCCCCC=O)\CCCCC	B	0.962000012
SN00276624	C(=O)(OCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC	B	0.995999992
SN00276688	[C@@H]([C@@H](CC)O)(CCC)C	B	0.952000022
SN00276698	C(=O)(CCCCCCCCCCCCCCC)OCCCCCCCC	B	0.995999992

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