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
SN00120255	CCOC(=O)Cc1ccc(cc1)CC(=O)OCC	B	0.962000012
SN00120264	CC(=O)Oc1c(=O)c2ccccc2oc1c1ccccc1	B	0.958000004
SN00120276	Cc1cc(c(c(c1C)Br)C)C	B	0.953999996
SN00120345	C[C@@H](C)c1ccccc1C(=O)[O-]	B	0.981999993
SN00120356	C[C@H](CCC[C@H](C)C)CCO	B	0.973999977
SN00120369	CCC[C@]1(C(=N)NC(=NC1=O)[O-])CC	B	0.970000029
SN00120443	C=C(c1ccccc1)[P@@](=O)([O-])[O-]	B	0.970000029
SN00120444	Cc1ccc(s1)C(=O)C	B	0.959999979
SN00120445	CCC(=O)[P@](=O)(OCC)OCC	B	0.958000004
SN00120485	CCCC[P@@](=O)(C)CCCC	B	0.99000001
SN00120510	Cc1c2ccccc2ccc1C(=O)[O-]	B	0.972000003
SN00120636	CC[C@@]1(C(=O)N=C(N(C1=O)C)N1CCCCC1)CC	B	0.973999977
SN00120689	COc1cc(cc(c1OC)OC)C=O	B	0.981999993
SN00120736	C[C@@H]1CC[C@]([C@@]1(C)C)(C)C(=O)[O-]	B	0.959999979
SN00120761	CCCC[P@@H](=O)CCCC	B	0.987999976
SN00120782	Cc1cc2cc3cc(c(cc3cc2cc1C)C)C	B	0.953999996
SN00120794	CCO[P@@](=O)(c1ccc(cc1)O)OCC	B	0.953999996
SN00120798	Cc1cc(c(cc1OC)C=O)OC	B	0.959999979
SN00120799	C=CC[C@H](c1ccccc1)O	B	0.958000004
SN00120806	Cc1ccncc1C(=O)[O-]	B	0.981999993
SN00120819	c1ccc(cc1)n1c2ccccc2c(=O)cc1[O-]	B	0.970000029
SN00120862	CCN(CC)C(=O)[C@@](C)([C@](F)(F)F)[C@](F)(F)F	B	0.970000029
SN00121027	c1ccc(cc1)C[C@@H](Cc1ccccc1)Br	B	0.962000012
SN00121178	Cc1c(c(c2c(c1C)CC2)C)C	B	0.977999985
SN00121191	C/C(=C(\C)c1ccccc1)c1ccccc1	B	0.952000022

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