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
SN00333577	[C@@]123[C@@H]4[C@@]5([C@H](C(=C)[C@@H](C5)CC4)O)CC[C@H]1[C@@](CN1[C@@H]2OCC1)(CCC3)C	B	0.953999996
SN00333786	[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC	B	0.95599997
SN00333821	[C@@]12([C@H]([C@H]3[C@H](C[C@H]([C@@H]1CC[C@@H]2O)C)OC(=O)C3=C)O)C	B	0.962000012
SN00333884	c12c(oc(cc2=O)c2ccc(cc2)OC)cc(c(c1OC)C)O	B	0.972000003
SN00333890	[C@H]1([N@+](C)(C)C)CC(=O)CCCC1	B	0.958000004
SN00334072	C(CCCCCCCCCC/C=C\CCCC)CCCCCCCCC/C=C\CCCCC	B	0.970000029
SN00334211	O[C@H](CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C	B	0.981999993
SN00334241	[C@@H]1(N[C@H](CCC1)C)CCCCCCCCC	B	0.973999977
SN00334280	[C@]12([C@](C(=O)OCC3=CCN4[C@@H]3[C@@H](OC(=O)C(=C)[C@H]1C)CC4)(O)C)OC2	B	0.95599997
SN00334621	C(=O)(Cl)C	B	0.953999996
SN00334758	C(=O)(OC[C@@H](CC)C)CCCCCC	B	0.994000018
SN00334862	C(=O)(Cc1ccccc1)Cl	B	0.962000012
SN00334870	[C@@H]12[C@H]3CN4[C@H]([C@H](C3)CN1CCC[C@@H]2O)CCCC4=O	B	0.95599997
SN00334886	[C@]1(C(=O)NC(=O)NC1=O)([C@H](CC)C)CC(=O)C	B	0.99000001
SN00334906	n1(c2c(c(=O)c3c1cccc3)cccc2)CC	B	0.963999987
SN00334944	[C@H](CCCCCCCCCCCCCCCCCCCCCC)(CCCCCCCCCCO)C	B	0.962000012
SN00335070	[C@H](CCCCCCCCCC)(CCCCCCCO)C	B	0.962000012
SN00335133	[C@@H](CC/C=C(\C)C)(O)C	B	0.976000011
SN00335245	[C@@H]([C@H](CC)C)(CC)CC	B	0.984000027
SN00335378	C(=O)(OCC[C@H](O)CCCCCCC/C=C/CCCCCCCC)CCCCCCCCC/C=C\CCCCCCCCCCCCCCC	B	0.963999987
SN00335440	C(=O)(SC/C=C(\C)C)C	B	0.952000022
SN00335466	C(=O)(O[C@@H](CCC)C)CCCCCCC	B	0.986000001
SN00335569	[C@H]12[C@H]3C[C@@H](CN1CC[C@@H](C2)O)[C@@H]1N(C3)CCC(=O)C1	B	0.95599997
SN00335612	C(=C\CCCCCCCCCC=O)/CC	B	0.952000022
SN00335676	C(=O)(OCCCCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCC	B	0.995999992

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