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
SN00119623	C(COCC[NH3+])[NH3+]	B	0.953999996
SN00119627	CC[C@](C)(C#C[C@@](C)(CC)O)O	B	0.95599997
SN00119628	CC[C@@](C)(C#C[C@](C)(CC)O)O	B	0.95599997
SN00119634	Cc1cc(c(c(c1C)C)Br)C	B	0.973999977
SN00119659	CCOC(=O)c1cnccc1C	B	0.984000027
SN00119698	CCCCCCCOC(=O)c1ccccc1Cl	B	0.963999987
SN00119721	Cc1c(c(c2ccccc2c1Br)Br)C	B	0.962000012
SN00119731	Cc1cc2ccccc2cc(c1=O)C	B	0.963999987
SN00119736	CCCC[P@](=O)(CCCC)O	B	0.99000001
SN00119759	C=CC[C@@H](c1ccccc1)O	B	0.958000004
SN00119766	Cc1c(c(c2c(c1C)CC2=O)C)C	B	0.967999995
SN00119767	Cc1c(c(c(c(c1C)C)C=O)C)C	B	0.981999993
SN00119774	C1CC[N@@+]2(C1)CCCC2	B	0.953999996
SN00119779	CCOC(=O)[C@H](Cc1ccccc1)C(=O)OCC	B	0.986000001
SN00119784	C[C@@](C)(c1ccccc1)C(=O)[O-]	B	0.953999996
SN00119785	CCN(CC)C(=O)[C@@](F)(F)F	B	0.970000029
SN00119793	Cc1ccncc1CO	B	0.966000021
SN00119830	CCCC[NH2+]CCCC	B	0.967999995
SN00119873	CCC[NH2+]CCC	B	0.959999979
SN00119875	Cc1c2ccccc2c(c2c1cccc2)C	B	0.973999977
SN00119878	Cc1c(c(c(c(c1OC)C)Br)OC)C	B	0.972000003
SN00119879	C[C@@H](C)Cc1ccc(cc1)C(=O)[O-]	B	0.952000022
SN00119882	CC[C@@]1(C(=N)NC(=NC1=O)[O-])CC	B	0.984000027
SN00119884	CCC[C@@]1(C(=N)NC(=NC1=O)[O-])CC	B	0.970000029
SN00119905	c1ccc(cc1)C#Cc1ccccc1	B	0.959999979

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