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
SN00331085	S([C@](C)(C)C)CC	B	0.959999979
SN00331154	[Se](C)C	B	0.967999995
SN00331179	C(=O)(Cl)CCCCCCCCCCCCCCCCC	B	0.959999979
SN00331318	C12=C(C(=O)C(=C(C1=O)C)O)[C@@H](CC[C@@H]2[C@@H](C)C)C	B	0.966000021
SN00331350	C(CCCCCCCCCCO)CCCCCCCCCCC	B	0.958000004
SN00331467	C(C[C@@H](CCCCCC)C)C[C@H](CCCCCCC)C	B	0.991999984
SN00331509	[S@](=O)(=O)(O)OCC	B	0.962000012
SN00331715	c12c(ccnc1)cccc2	B	0.962000012
SN00331810	C(=O)(CCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C	B	0.987999976
SN00332036	c12c(oc(c(c1=O)O)c1cc(c(cc1)O)OC)cc(cc2OC)O	B	0.952000022
SN00332082	c12c(c(c(c(c2OC)OC)OC)OC)oc2c(c1=O)cc(cc2)OC	B	0.953999996
SN00332107	O	B	0.967999995
SN00332149	C(=C(\[C@@H](C)C)C)/C(=O)OC	B	0.970000029
SN00332211	C(=O)(OCC)CCCCCCCCCCCCCCCCCCCCCC(=O)OCC	B	0.987999976
SN00332221	C=C	B	0.991999984
SN00332299	C1(=O)CCNCC1	B	0.958000004
SN00332356	[C@@H](OC(=O)CCCC)(CCCCCC)C	B	0.976000011
SN00332509	C(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C	B	1
SN00332841	[C@H](CCCCCCCC/C=C\CCCCCC)(CCCCCC)O	B	0.966000021
SN00332881	c12c(oc(c(c1=O)O)c1ccc(cc1)O)c(c(c(c2)O)O)O	B	0.952000022
SN00332952	[C@H](CCCCCCCCC)(CCCCCC)C	B	0.991999984
SN00333026	c1(c(cc(cc1OC)/C=C/COC(=O)C)OC)OC	B	0.958000004
SN00333046	[C@@H]1([C@H](CCC1)C)C	B	0.95599997
SN00333432	[C@H](OCC)(OCC)CCCCCC	B	0.973999977
SN00333454	C(=C)[C@H](OC)CC	B	0.963999987

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