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
SN00214616	c1cccc(c1)C(=O)OC(C)(C)C	B	0.967999995
SN00214637	c1cccc(c1)N(c1ccccc1)N=O	B	0.966000021
SN00214691	C1(c2ccccc2)(C(=O)NC(=O)N1)CC	B	0.958000004
SN00214713	c1cccc(n1)N(Cc1ccc(cc1)Cl)CC	B	0.952000022
SN00214725	c1ccc2c(c1)c1c(oc2=O)cc(cc1)N	B	0.973999977
SN00214735	c12c(c(=O)cc(o1)c1ccc(cc1)OC(=O)C)c(c(c(c2OC)OC)OC)OC	B	0.95599997
SN00214854	c12c(c(=O)cc(o1)c1ccc(cc1)O)c(c(c(c2)OC)O)OC	B	0.959999979
SN00214874	c1cccc(c1)C(c1ccccc1)C(Cl)Cl	B	0.95599997
SN00214892	c1cccc(n1)N(Cc1ccccc1)C	B	0.977999985
SN00214948	c1c(ccc(c1)C(c1ccc(cc1)O)(CC)CC)O	B	0.958000004
SN00214960	c12c(c(=O)c(c(o1)c1ccc(cc1)O)O)cc(cc2)O	B	0.962000012
SN00215048	C12C3C(C4C(CC3)CC(=O)C(C4)C)CCC1(C(CC2)O)C	B	0.952000022
SN00215110	C(#CC(CCCCCCCCC)(O)C)C(CCCCCCCCC)(O)C	B	0.963999987
SN00215140	c1ccc2c(c1)c1c(oc2=O)cc(cc1)N1C(=O)C=CC1=O	B	0.958000004
SN00215346	O=CCCC=O	B	0.952000022
SN00215517	C/C(=C/CC1=C(O)C(O)(C/C=C(/C)C)C(=O)C(=C1O)C(=O)C(C)C)C	B	0.986000001
SN00215518	C/C(=C/CC1=C(O)C(C/C=C(/C)C)(C/C=C(/C)C)C(=O)C(=C1O)C(=O)CC(C)C)C	B	0.980000019
SN00215519	C/C(=C/CC1=C(O)C(C/C=C(/C)C)(C/C=C(/C)C)C(=O)C(=C1O)C(=O)C(C)C)C	B	0.977999985
SN00215718	N1C(=O)NC(=O)C(C)C1	B	0.952000022
SN00215790	O(C(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCC)C(=O)CCCCCCCCC	B	0.986000001
SN00215816	C(COC(=O)CCCCCCCCCCCCCCC)(COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCC	B	0.958000004
SN00215855	C(=O)(c1nc2c(cc1)cccc2)O	B	0.958000004
SN00215940	O=CN(c1ccccc1)C	B	0.977999985
SN00215995	C(C(C)C)CC=O	B	0.963999987
SN00216059	C(=O)N	B	0.963999987

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