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
SN00213856	c1cccc(c1)CC(=O)NCC	B	0.953999996
SN00213940	CC(OP(=O)(C)F)C	B	0.966000021
SN00214066	CC(CCOC=O)C	B	0.981999993
SN00214173	C1(COC(=O)C1)(CC)C	B	0.972000003
SN00214201	N(N(CC)CC)(N=O)O	B	0.958000004
SN00214221	CCCCCCCCCCCCCCCCCCCC(C(C)OC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC	B	0.953999996
SN00214246	C(=O)(CCCCCCCCCCCCCCC)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC	B	0.986000001
SN00214288	c1(ccccc1)C(CC)C	B	0.984000027
SN00214291	c1ccc(cc1)C(=O)OCCCN(C)C	B	0.95599997
SN00214314	c1c(ccc(c1)C(CC(C)(C)C)(C)C)O	B	0.963999987
SN00214322	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	B	0.963999987
SN00214327	c1c(ccc(c1)C(c1ccc(cc1)O)(C)CC)O	B	0.962000012
SN00214328	c1cc(ccc1C(CC)(C)C)O	B	0.976000011
SN00214343	C(COC(=O)CCCCC(=O)OCCCC)CC	B	0.986000001
SN00214348	C(COC(=O)CCCCC(=O)OCC(C)C)(C)C	B	0.980000019
SN00214430	N1CCNC1=S	B	0.998000026
SN00214436	c1(CN(CCN(C)C)c2ccccc2)ccccc1	B	0.976000011
SN00214443	N(=O)N(CC)CC	B	0.967999995
SN00214449	C(SP(=S)(OC)OC)(c1ccccc1)C(=O)OCC	B	0.95599997
SN00214501	CC(OC(=O)CCCCC(=O)OC(C)C)C	B	0.980000019
SN00214505	CC(=C)C(=O)OC	B	0.963999987
SN00214526	C(=O)(CCCCC(=O)OCC)OCC	B	0.99000001
SN00214528	c1c(ccc(c1)c1ccc(cc1)S)S	B	0.952000022
SN00214544	c1ccc2c(c1)oc(c2)c1ccncc1	B	0.966000021
SN00214615	S(=O)(=O)(OCC)OCC	B	0.987999976

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