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
SN00340946	C([C@H](CCCCCCCCCCCCCCC)C)[C@@H](CCCCCCCCCCCC)C	B	0.986000001
SN00341003	[S@](=O)(=O)(NCCCCCCCC[C@@H](C)C)[O-]	B	0.953999996
SN00341098	C(=C\CCCCCCCCCCCCC)/CC	B	0.958000004
SN00341156	[C@H]1([C@@H](c2c3c(ccc(c3)OC)ncc2)O)N2C[C@@H]([C@H](C1)CC2)C=C	B	1
SN00341207	[C@]12([C@@H]3[C@@]([C@@]([C@H](CC3)O)(O)C)(CC(=O)[C@H]1C)C)C(=O)O[C@H](C2)c1cocc1	B	0.962000012
SN00341241	[C@H]1([C@@H](Cc2ccccc2)O)OC(=O)CC1	B	0.95599997
SN00341349	C(=O)(CC[C@@H](CCCC)C)OCC	B	0.984000027
SN00341483	[C@@H](CCCCCCCCCCC[C@@H](CCCCCCCCCC)C)(CCCCCCCCCCCCCC)C	B	0.991999984
SN00341493	C(=O)(CCCCCCCC=O)OCC	B	0.95599997
SN00341536	C(=O)(O[C@H](COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCC/C=C/CCCCCCCC	B	0.95599997
SN00341757	C(=O)([C@@H](C)C)C=C	B	0.962000012
SN00341806	C(=C\CC[C@@H](O)CC)(/CC)C	B	0.959999979
SN00341824	[C@@H](OC(=O)C)(CCCCCCCCC/C=C\CCCC)C	B	0.963999987
SN00341943	[C@H](OC(=O)CCCC/C=C\CCCCCCCCCCC)(COC(=O)CCCC/C=C\CCCCCCCCCCC)COC(=O)CCCC/C=C\CCCCCCCCCCC	B	0.95599997
SN00341946	C(=O)O	B	0.980000019
SN00341947	n1(c(ccc1)C=O)CCCC	B	0.95599997
SN00341993	C(=O)(OCCCCCCCCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCCCCCC	B	0.995999992
SN00342134	C([C@@H](C)C)CCCCCCCCCCCCCCCCCCCCCC	B	0.995999992
SN00342216	c12c(c(=O)cc(n1C)CCCCCCCCC(=O)C)cccc2	B	0.966000021
SN00342257	C(CCCCCCCCCCCCCCCCCO)CCCCCCCCCCCCCCCCCC	B	0.958000004
SN00342348	C(=C\CCCCCCC)\CCCCCCCC	B	0.970000029
SN00342655	c1(c2c(=O)c3c(oc2)cc2c(c3)cco2)c(cc(c(c1)OC)OC)OC	B	0.958000004
SN00342678	[C@@H]12[C@@H]3[C@H](C(=C)C(=O)O3)C[C@@H](C(=C)[C@@H]1CC(=O)[C@H]2C)O	B	0.962000012
SN00342685	C(=O)(OCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C)C	B	0.984000027
SN00342735	C(C[C@@H](CCC)CCCC)[C@H](C)C	B	0.972000003

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