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
SN00269807	c1(=O)c2c(oc(c1)C)cccc2C	B	0.958000004
SN00269818	c12c(c(c(cc2O)O)C/C=C(\C)C)O[C@@H](CC1=O)c1ccc(cc1)O	B	0.962000012
SN00269955	[C@@H](CC)(CCCCCCC)C	B	0.995999992
SN00270115	[C@H]12[C@@H](Cc3c(C2)c(ccc3C)C)OC(=O)C1=C	B	0.976000011
SN00270156	C(=C\SS[C@@H](CC)C)/COC(=O)C	B	0.952000022
SN00270213	[C@@]1(C[C@@H](CC(=O)C1)C)(C)C	B	0.95599997
SN00270237	c12c(=O)cc(oc2cc(c(c1O)C/C=C(/CC/C=C(/C)C)C)O)c1ccc(cc1)O	B	0.952000022
SN00270303	C	B	0.994000018
SN00270395	[C@H](CCCCCCCCCCCCCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCCCC)O	B	0.991999984
SN00270455	c1(C(=O)C)c(ccnc1)C	B	0.99000001
SN00270485	C(=O)(O[C@](COC(=O)C)(C)C)C	B	0.984000027
SN00270666	[C@]12([C@H](O1)[C@@H]1[C@@H]([C@H](CC(=CCC2)C)O)C(=C)C(=O)O1)C	B	0.953999996
SN00270671	O[C@@H](CCCCCCCCCCC)C	B	0.981999993
SN00270766	[C@H]1(N[C@@H](CC1)CCCC)CCCCC	B	0.972000003
SN00270836	[C@H](C(=O)C)(CC)C	B	0.953999996
SN00270998	[C@@H](OC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC	B	0.95599997
SN00271032	C(C(=O)OCC)[C@H](OCC)OCC	B	0.959999979
SN00271496	C1(=C(C(=O)O[C@@H]1C)N)C	B	0.967999995
SN00271500	C(CCCCCCCCCCCC)CCCCCCCCCCC=O	B	0.970000029
SN00271559	[C@@H]12[C@@H]3[C@H](C(=C)C(=O)O3)[C@@H](CC(=C)[C@@H]1CC(=O)[C@H]2C)O	B	0.963999987
SN00271613	c12c(c(c(cc1occc2=O)OC)OC)OC	B	0.963999987
SN00271738	[C@H](CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)(CC)C	B	0.995999992
SN00272067	c12c(c(ccc1[C@@H](C)C)C)cc(cc2)O	B	0.958000004
SN00272282	c1(C(=O)OCCNC[C@H](C)C)cc(ccc1)N	B	0.953999996
SN00272293	[N@+](CCO[C@@H](O)C)(C)(C)C	B	0.966000021

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