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
SN00322045	O=C(CCCCCCCCCCCCCCCCCCCCCCCCC/C=C\CCCCCCCC)C	B	0.962000012
SN00322119	n1(cccc1)CC=C	B	0.970000029
SN00322127	C(=C\CCc1ccccc1)/C(=O)C	B	0.952000022
SN00322275	[C@H](SSC)(CC)C	B	0.967999995
SN00322478	[C@@]12(C(=C([C@H](CC2)O)C)[C@@H]2[C@@H](CC1)C(=C)C(=O)O2)C	B	0.962000012
SN00322702	c12c3c(oc1oc1c(c2=O)c(c(c(c1)O)C/C=C(\C)C)O)cc(cc3)O	B	0.973999977
SN00322731	C(=C\CC/C=C\CCC)\CCCCCCCC	B	0.966000021
SN00322734	C(=O)(OCCCCCCCCCCCCCCCCC[C@@H](CCCCCCCC)O)CCCCCCCCC	B	0.981999993
SN00322746	c12c(c(c(c(c1OC)OC)OC)OC)occ(c2=O)c1cc2c(cc1)OCO2	B	0.952000022
SN00322977	[C@@H](CCCC/C=C\CCCCCCC=O)(CC)C	B	0.962000012
SN00323167	[C@@H](OC(=O)CCCCCCCC/C=C\CCCCCCCC)(COC(=O)CCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCC/C=C\CCCCCCCC	B	0.95599997
SN00323337	C(=C\CCCCCCCCCC)\CCCCCCCCCCCCC	B	0.970000029
SN00323444	C1(=C(C(=O)C(=C(C1=O)O)C)O)[C@@H](C)C	B	0.970000029
SN00323548	c1(C/C=C(/C=C(/C[C@H](C)C)C)C)ccccc1	B	0.95599997
SN00323674	C(=O)(OC[C@@H](CC)C)CCCCCCC	B	0.994000018
SN00323746	C(=O)(OCCCCCCCC/C=C\CC)CC	B	0.958000004
SN00323883	[C@@]12([C@H](O1)[C@H]1[C@@H](C(=C)C(=O)O1)CCC(=CCC2)C)C	B	0.973999977
SN00323961	[C@](O)(CN)(C)C	B	0.952000022
SN00323992	c12c3[C@@H](Cc4c1cc(c(c4)OC)OC)N(CCc3cc(c2OC)OC)C	B	0.962000012
SN00324007	c1(noc(c1)C)C(=O)OC	B	0.952000022
SN00324035	O(C(=O)C)CCCC/C=C\CCCCCCCC	B	0.976000011
SN00324066	[C@@H](CCCCCCCCCC)(C)C	B	0.995999992
SN00324149	C(=O)(OCC)CCCCCCCCCC(=O)OCC	B	0.987999976
SN00324240	n1cn(cc1C)C	B	0.963999987
SN00324291	c12c(c(c(c(c1O)OC)OC)O)c(=O)cc(o2)c1ccc(cc1)O	B	0.959999979

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