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
SN00297192	O=C(CCC/C=C\CCCCCCCCCCCCCCCCCC/C=C\CCCCCCCC)C	B	0.962000012
SN00297293	C(#N)O	B	0.953999996
SN00297309	[C@]12([C@]([C@@H](CC1=O)[C@@H](C2)O)(C)C)C	B	0.95599997
SN00297520	[C@H](CCCCCCCCC[C@H](CCCCCCCCCCC)C)(CCCCCCCCCCCCC)C	B	0.991999984
SN00297599	C(=O)(OCCC/C=C/CCCCCCCCCCC)C	B	0.976000011
SN00297601	[C@@H](COC(=O)CC)(CC)C	B	0.994000018
SN00297642	O=C(CCCCCCC/C=C/CCCCCC)C	B	0.959999979
SN00297852	c12c(oc(cc2=O)c2cc(c(cc2)O)OC)cc(cc1OC)OC	B	0.963999987
SN00297948	C(=O)([C@@H](CC)C)OCCC	B	0.952000022
SN00297950	[C@@]1(C(=O)[C@H](C(=O)[C@H](C1=O)C/C=C(\C)C)C(=O)[C@@H](CC)C)(C/C=C(/C)C)O	B	0.973999977
SN00298078	[C@H](CC)(CCCCCCC)C	B	0.995999992
SN00298112	C(CN)CC	B	0.958000004
SN00298155	c1([C@H]([C@H](NC)C)O)ccccc1	B	0.987999976
SN00298213	[C@H](CCCCCCCCCCCCC)(CCCO)C	B	0.963999987
SN00298408	C(=O)(O[C@H](CCCCCC)C)C	B	0.984000027
SN00298579	[C@@H]1(N(CCC1)C)CCCCCCCCCCCCCC	B	0.959999979
SN00298628	[C@]12([C@@H](O1)[C@@H]1[C@H](C(=C)C(=O)O1)CCC(=CC[C@@H]2O)C)C	B	0.959999979
SN00298666	[C@H](COC[C@H](C)C)(C)C	B	0.987999976
SN00298849	c12c(oc(cc2=O)c2c(c(c(c(c2)OC)OC)O)OC)cc(c(c1O)OC)OC	B	0.958000004
SN00299070	c12c(cccn1)cccc2	B	0.977999985
SN00299089	c1(c(=O)oc(cc1O)C)C(=O)C	B	0.953999996
SN00299090	[C@@H](CCCCCCCCCCCCCCCCCCCCCCCCCCCO)(CC)C	B	0.963999987
SN00299359	[C@@]12([C@H]([C@H]3[C@H](C[C@H]([C@H]1CCC2=O)C)OC(=O)C3=C)O)C	B	0.966000021
SN00299384	C(=O)(OCCCCCCCC/C=C/CC)C	B	0.959999979
SN00299408	[C@H](CCCCCCCCCCCCCCCCCCCCCCCCC)(CCC)C	B	0.976000011

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