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
SN00142005	CCO[P@@](=O)(CCOCCOCCOCC[P@](=O)(OCC)OCC)OCC	B	0.953999996
SN00142089	CCCCCCCOC[P@](=O)(CCCCCCC)CCCCCCC	B	0.987999976
SN00142114	CCCCCCCCOC(=O)c1ccccc1Cl	B	0.963999987
SN00142594	c1ccc(cc1)c1c([O-])n2[C@@H]3CC(=O)C[C@H](n2c1=O)C=C3	B	0.952000022
SN00142746	CN1N(N2N1CCSSCC2)C	B	0.953999996
SN00142797	CCOC(=O)C1=CNCCNC=C(C(=NCCN=C1C)C)C(=O)OCC	B	0.953999996
SN00142967	C[C@@H]1Cc2c3ccccc3n(c2C(=O)O1)C	B	0.984000027
SN00142968	C[C@H]1Cc2c3ccccc3n(c2C(=O)O1)C	B	0.984000027
SN00142977	C[C@@H]1Cc2c3ccccc3n(c2C(=O)O1)C(=O)C	B	0.967999995
SN00142978	C[C@H]1Cc2c3ccccc3n(c2C(=O)O1)C(=O)C	B	0.967999995
SN00143300	CC(=O)OC/C=C/c1ccc2c(c1)OCO2	B	0.959999979
SN00143362	CCCc1cc(=O)c2ccccc2n1C	B	0.966000021
SN00143826	c1cc(ccc1c1cc(=O)c2ccc(cc2o1)O)Cl	B	0.976000011
SN00143976	CCOc1ccc2c(c1)occ(c2=O)c1ccc(cc1)Br	B	0.95599997
SN00144057	C[C@@H](C)C(=O)Oc1ccc2c(c1)occ(c2=O)c1ccc(cc1)Cl	B	0.952000022
SN00144076	CCOC(=O)[C@@H](C)Oc1ccc2c(c1)occ(c2=O)c1ccccc1	B	0.952000022
SN00144077	CCOC(=O)[C@H](C)Oc1ccc2c(c1)occ(c2=O)c1ccccc1	B	0.952000022
SN00144467	CCOC(=O)[C@@H](C)Oc1ccc2c(c1)occ(c2=O)c1ccc(cc1)Br	B	0.953999996
SN00144468	CCOC(=O)[C@H](C)Oc1ccc2c(c1)occ(c2=O)c1ccc(cc1)Br	B	0.953999996
SN00146206	CCN(CC)C(=O)Oc1ccc2c(c1)occ(c2=O)c1ccc(cc1)OC	B	0.953999996
SN00146516	c1ccc(cc1)c1cc(=O)c2cc(ccc2o1)N	B	0.972000003
SN00148519	c1cc(ccc1c1cc(=O)c2cc(ccc2o1)N)F	B	0.95599997
SN00150440	C[C@@](C)(C)c1ccc(cc1)c1cc(=O)c2cc(ccc2o1)N	B	0.953999996
SN00150441	C[C@@](C)(C)c1ccc(cc1)c1cc(=O)c2ccc(cc2o1)N	B	0.981999993
SN00150832	CC(=O)Nc1ccc2c(=O)cc(oc2c1)c1ccc(cc1)[C@@](C)(C)C	B	0.95599997

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