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
SN00239791	C(=O)(OCCCCCCCCC/C=C\CC)C	B	0.959999979
SN00239878	[C@]12(C(=C(C(=O)C=C2)C)[C@@H]2[C@H](CC1)[C@H](C(=O)O2)C)C	B	0.981999993
SN00239883	C(=O)(O[C@H](COC(=O)CCCCCCCCCCC/C=C/CCCCCCCC)COC(=O)CCCCCCCCCCC/C=C/CCCCCCCC)CCCCCCCCCCC/C=C/CCCCCCCC	B	0.95599997
SN00240072	[C@@H]12[C@@H]3C[C@H](CN1CCC[C@@H]2O)[C@H]1N(C3)CCCC1	B	0.967999995
SN00240157	c12c(c(cc(c1C=O)O)[C@@H](C)C)cc(c(c2O)OC)C	B	0.952000022
SN00240549	[C@@H](CCC/C=C\CCC/C=C\CCCCCCC)(CCCCCCCCCC)O	B	0.959999979
SN00240572	C(CCCCCCCCCCCCCCCCO)CCCCCCCCCCCCCCCCC	B	0.958000004
SN00240637	c12c(c(cc(c1)OC/C=C(\C)C)O)ccc(=O)o2	B	0.952000022
SN00240790	[C@]12([C@@H]3C(=C[C@](CC3)(C=C)C)CC[C@H]1[C@@H](C(=O)CC2)C)C	B	0.958000004
SN00240888	c12c(c(c(c(c2)O)C)O)c(=O)cc(o1)c1cc(c(cc1)O)O	B	0.958000004
SN00240923	[C@H](CCCCCCCCCC)(CCCC)C	B	0.991999984
SN00241066	[C@H](CC[C@H](C)C)(C)C	B	0.991999984
SN00241142	C([C@H](O)C)CCCCCCC	B	0.981999993
SN00241151	c1(c(=O)c2c(oc1)cc(cc2OC)OC)c1c(c(c(cc1OC)OC)OC)C/C=C(/C)C	B	0.962000012
SN00241175	[C@]12(C=CC(=C)CC1)[C@@H](CC[C@@H]2C)[C@H](C)C	B	0.952000022
SN00241215	c1(c(cccc1C=O)OC)OC	B	0.959999979
SN00241219	[C@H](CCCCCCCCCCCCCCCCCCCC)(CCCCCCCC)C	B	0.991999984
SN00241240	[C@H](OC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC	B	0.986000001
SN00241346	C(=O)(OC(=O)Cc1ccccc1)Cc1ccccc1	B	0.967999995
SN00241354	C(=O)(OCC)CCCCCCCCCCC/C=C\CCCCCCCC	B	0.972000003
SN00241385	[C@@H]([C@@H](CCCC)C)(CCCCC)C	B	0.994000018
SN00241396	c12c(=O)c(coc1cc(cc2)O)O	B	0.973999977
SN00241439	c1(c(=O)c2c(oc1c1ccc(cc1)O)cc(cc2O)O)C	B	0.984000027
SN00241571	c12c(sncc2=O)ncn1C	B	0.952000022
SN00241684	c1(c(c(=O)c2c(o1)cc(c(c2O)OC)OC)OC)c1c(cc(c(c1)OC)OC)OC	B	0.952000022

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