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
SN00397734	c12c(c(ccc(c2)[C@@](O)(C)C)C)ccc1C=O	B	0.958000004
SN00397541	C(=C(\CC/C=C(/C)C)C)/CC/C(=C/CN)C	B	0.959999979
SN00397457	[C@@]12([C@H]([C@H](C[C@@H]3[C@H](C1)C(=C)C(=O)O3)C)CCOC2=O)C	B	0.952000022
SN00397251	C(=O)(OCCCCCCCC/C=C\CCCCCCCC)CCCCCCC/C=C\CCCCCCCC	B	0.976000011
SN00397250	[C@]12([C@H](CC[C@H]1C)[C@H](C)C)C[C@@H](C(=C)C=C2)O	B	0.953999996
SN00397202	c1(c2c(=O)oc3c(c2)cc2c(c3)occ2)c(cc(c(c1)OC)OC)OC	B	0.959999979
SN00397188	O1C(=O)CC[C@@H]([C@@H]1C)C	B	0.972000003
SN00397090	[C@]12([C@@H]([C@@H]3[C@H](CC2)[C@]2([C@H](C[C@H]3O)C[C@H](CC2)O)C)CC[C@H]1[C@H](CCC(=O)O)C)C	B	0.952000022
SN00396909	O=C(CCCCCCCCCCCC/C=C\CCCCC/C=C/CCCCCCCCCCCCCC)C	B	0.962000012
SN00396856	C(/C(=C\CC/C(=C\CC/C(=C/CO)C)C)C)C/C=C(\CC/C=C(\CC/C=C(\C)C)C)C	B	0.962000012
SN00396818	C(=O)(OCC[C@@H](CCC[C@@H](C)C)C)C	B	0.976000011
SN00396606	[C@@]1(C(=C(C(=C(C1=O)C/C=C(/C)C)O)C(=O)C[C@@H](C)C)O)(C/C=C(\C)C)O	B	0.991999984
SN00396581	[C@@H]1(N(CCC1)C)CC(=O)C	B	0.953999996
SN00396536	[C@H]1(c2cnccc2)N(C(=O)C[C@@H]1O)C	B	0.963999987
SN00396478	[C@H](CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)(C)C	B	0.995999992
SN00396374	[C@@]12([C@H]([C@H](C(=O)CC2)C)CCC2=C[C@](C=C)(CC[C@@H]12)C)C	B	0.958000004
SN00396231	[C@@]12([C@H]([C@@H]3[C@@H](C[C@H]([C@@H]1CCC2=O)C)OC(=O)C3=C)O)C	B	0.966000021
SN00396180	c1(C(=O)OCCCCCC)ccccc1	B	0.99000001
SN00396132	[C@H](CCCCCCCCCCCCCCCCCCCCCCC)(CCCC)C	B	0.991999984
SN00396053	C(/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CO)C)C)C)C)C)C/C=C(\CC/C=C(\CC/C=C(\CC/C=C(/CC/C=C(\C)C)C)C)C)C	B	0.953999996
SN00396032	c12c(c(cc(c1)O)O)ccc(=O)o2	B	0.958000004
SN00395970	c12c(oc3c(c1=O)c(cc(c3)OC)OC)c(c(c(c2OC)OC)OC)OC	B	0.95599997
SN00395891	[C@@H]([C@@H](C)C)(S)C	B	0.984000027
SN00395781	[C@@H]1(C(=O)OC)CN(CCC1)C	B	0.953999996
SN00395659	O(C(=O)C)CC/C=C/CCC/C=C\CCCCC	B	0.967999995

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