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
SN00335678	C(=O)(Cl)CCc1ccccc1	B	0.967999995
SN00335969	[C@@H]1(N[C@H](CCC1)C)C[C@@H](O)C	B	0.977999985
SN00336050	C(=O)(CCCCCCCCCCC[C@@H](CC)C)OCCCCCCCCCCCCCC	B	0.995999992
SN00336051	C(=O)(OC[C@@H](C)C)CCCCC/C=C\CCCCCC	B	0.977999985
SN00336375	[C@@H]1([C@H]([C@@H](C)C)CC[C@@H](C1)C)O	B	0.966000021
SN00336402	C(=O)(O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCC/C=C/CCCCCCCC	B	0.95599997
SN00336435	O=C(CCCCCCC[C@@H](CCC)C)C	B	0.959999979
SN00336438	n1(c(cnc1)C)C	B	0.966000021
SN00336498	[C@@]123[C@]4([C@@H]([C@]56[C@@H](CC4=O)[C@](O[C@H]5CC(=O)OC6)(C)C)CC[C@]1([C@H](c1cocc1)CC(=O)[C@H]2O3)C)C	B	0.963999987
SN00336541	[C@]123[C@@](O2)(CC[C@@H]2[C@@H]([C@H]1C(=CC3)C)OC(=O)[C@H]2C)C	B	0.966000021
SN00336627	C(=C\[C@@H](O)CCCCC)/[C@H](OCC)OCC	B	0.967999995
SN00336774	C(#C)/C=C/CCCCCCCCCC/C=C\CCCCCC	B	0.95599997
SN00336960	[C@]12(C(=CC[C@@H]([C@@H]2C)O)C[C@@H]2[C@H](C1)C(=C)C(=O)O2)C	B	0.959999979
SN00337065	[C@H](CCCCCCCCCCCCCCCCCCCCCCCCCCC)(CCC)C	B	0.976000011
SN00337117	N1=C([C@H](S[C@@H]1C)C)C	B	0.95599997
SN00337122	[C@@]123[C@](O2)(CC[C@H]1C(=C)C[C@H]1[C@H](C3)C(=C)C(=O)O1)C	B	0.952000022
SN00337127	[C@@H](CCCCC)(CCCCCCCCCCC)C	B	0.991999984
SN00337188	c12c3c(c(c(c2OC)OC)OC)CCN([C@H]3Cc2c1cc(c(c2)OC)OC)C	B	0.959999979
SN00337203	C(=O)([C@](O)(CC)C)N	B	0.952000022
SN00337272	c12c(c(c(c(c1OC)OC)OC)O)c(=O)c(c(o2)c1ccccc1)O	B	0.95599997
SN00337343	C1(=C([C@](C(=C(C1=O)C/C=C(/C)C)O)(C/C=C(\C)C)O)O)C(=O)C[C@H](C)C	B	0.958000004
SN00337356	c1(n(ccn1)C)N	B	0.962000012
SN00337370	C(=O)(OC[C@@H](CC)C)C	B	0.995999992
SN00337413	c12c(c(c(c(c1OC)OC)O)O)c(=O)cc(o2)c1ccc(cc1)O	B	0.958000004
SN00337432	O=C(CF)C	B	0.953999996

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