Canonicalized SMILES
stringlengths 1
839
| Canonicalized Taste
stringclasses 5
values | Original Labels
stringlengths 4
212
| Source
stringclasses 6
values | standardised_smiles
stringlengths 1
839
|
|---|---|---|---|---|
NNC(=O)COc1ccc(Cl)cc1 | sour | pKa between 2 and 7 | IUPAC Dissocation Constants | NNC(=O)COc1ccc(Cl)cc1 |
Cc1cccc(C(=O)O)c1O | sour | pKa between 2 and 7 | IUPAC Dissocation Constants | Cc1cccc(C(=O)O)c1O |
COc1cc(O)c2c(c1C(=O)C=Cc1ccc(O)cc1)OC(C)(C)C(O)C2 | bitter | Bitter, Bitterness | chemtastes_db | COc1cc(O)c2c(c1C(=O)C=Cc1ccc(O)cc1)OC(C)(C)C(O)C2 |
CC1OC(OC2C(OC3C(OC4CCC5(C)C(CCC6(C)C5CC=C5C7CC(C)(C)CC(O)C7(C)C(=O)CC56CO)C4(C)C)OC(C(=O)O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O | sweet | sweet-like | flavor_db | CC1OC(OC2C(OC3C(OC4CCC5(C)C(CCC6(C)C5CC=C5C7CC(C)(C)CC(O)C7(C)C(=O)CC56CO)C4(C)C)OC(C(=O)O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O |
O=C(O)C=Cc1ccc(O)c(O)c1 | bitter | Bitter, Bitterness | chemtastes_db | O=C(O)C=Cc1ccc(O)c(O)c1 |
Cc1c([N+](=O)[O-])cc2c(c1[N+](=O)[O-])C(C)(C)CC2(C)C | undefined | musky | flavor_db | Cc1c([N+](=O)[O-])cc2c(c1[N+](=O)[O-])C(C)(C)CC2(C)C |
COC1C(O)COC(OCC2OC(OC3C(O)C(C)OC(CO)C3O)C(O)C(OC)C2O)C1O | sweet | sweet (insufficient evidence); sweet modifying compound: enhancer of sweetness potencies of saccharin, cyclamate, thaumatin and monellin | phytocompounds_db | COC1C(O)COC(OCC2OC(OC3C(O)C(C)OC(CO)C3O)C(O)C(OC)C2O)C1O |
OCCCC(O)C(O)CCO | sweet | sweet | flavor_db | OCCCC(O)C(O)CCO |
CC(C)CC(N)C(=O)NC(CC(N)=O)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCCN)C(=O)O | sweet | sweet | flavor_db | CC(C)CC(N)C(=O)NC(CC(N)=O)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCCN)C(=O)O |
O=C(O)C(SC(C(=O)O)c1ccccc1)c1ccccc1 | sour | pKa between 2 and 7 | IUPAC Dissocation Constants | O=C(O)C(SC(C(=O)O)c1ccccc1)c1ccccc1 |
COP(=O)(O)OC1C(C)OC(n2cnc3c(N)ncnc32)C1O | sweet | sweet-like | flavor_db | COP(=O)(O)OC1C(C)OC(n2cnc3c(N)ncnc32)C1O |
Nc1ncnc2c1ncn2C1OC(CO)C(O)C1OP(=O)(OP(=O)(O)O)OP(=O)(O)O | sweet | sweet-like | flavor_db | Nc1ncnc2c1ncn2C1OC(CO)C(O)C1OP(=O)(OP(=O)(O)O)OP(=O)(O)O |
COc1c(OC2OC(CO)C(O)C(O)C2O)cc2occ(-c3ccc(O)cc3)c(=O)c2c1O | sweet | sweet-like | flavor_db | COc1c(OC2OC(CO)C(O)C(O)C2O)cc2occ(-c3ccc(O)cc3)c(=O)c2c1O |
CC=Cc1ccc(OC(C)=O)c(OC)c1 | undefined | clove, spicy | flavor_db | CC=Cc1ccc(OC(C)=O)c(OC)c1 |
O=C(C=Cc1ccc(O)c(O)c1)c1c(O)cc(O)cc1O | bitter | Bitter, Bitterness | chemtastes_db | O=C(C=Cc1ccc(O)c(O)c1)c1c(O)cc(O)cc1O |
C=C1C(=O)OC2C=C(C)CCC=C(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC12 | bitter | bitter | phytocompounds_db | C=C1C(=O)OC2C=C(C)CCC=C(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC12 |
Cc1ccc(N)c(C(=O)O)c1 | sour | pKa between 2 and 7 | IUPAC Dissocation Constants | Cc1ccc(N)c(C(=O)O)c1 |
CC(C)CCOC1OC(CO)C(O)C(O)C1O | sweet | sweet | flavor_db | CC(C)CCOC1OC(CO)C(O)C(O)C1O |
O=c1cc(-c2ccc(O)c(O)c2)oc2cc(OC3OCC(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)cc(O)c12 | sweet | sweet-like | flavor_db | O=c1cc(-c2ccc(O)c(O)c2)oc2cc(OC3OCC(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)cc(O)c12 |
CCCCCCCCCCCCOC(=O)C(C)C | undefined | fruity, faint | flavor_db | CCCCCCCCCCCCOC(=O)C(C)C |
CC(=CC(C)C)C(=O)O | sour | acidic, fruity, honey, cheese | flavor_db | CC(=CC(C)C)C(=O)O |
COC1OC(COC2OC(CO)C(O)C(O)C(O)C2O)C(O)C(O)C1O | sweet | sweet | flavor_db | COC1OC(COC2OC(CO)C(O)C(O)C(O)C2O)C(O)C(O)C1O |
CC(C)=CC1CC(C)CCO1 | sweet | cortex, powdery, rose, floral, sweet, geranium, metallic, green | flavor_db | CC(C)=CC1CC(C)CCO1 |
C=COCCOC1OC(CO)C(O)C(O)C1O | sweet | sweet | flavor_db | C=COCCOC1OC(CO)C(O)C(O)C1O |
CCCC(=O)NCCCCC(CC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)NC | sweet | sweet | flavor_db | CCCC(=O)NCCCCC(CC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)NC |
NCCCCC(NC(=O)C(CC(=O)O)NC(=O)C1CCCN1)C(=O)NC(Cc1ccccc1)C(=O)O | sweet | sweet | flavor_db | NCCCCC(NC(=O)C(CC(=O)O)NC(=O)C1CCCN1)C(=O)NC(Cc1ccccc1)C(=O)O |
Nc1ncnc2c1ncn2C1OC(CO)C(O[P+](O)(O)[S-])C1O[P+](O)(O)[S-] | sweet | sweet-like | flavor_db | Nc1ncnc2c1ncn2C1OC(CO)C(O[P+](O)(O)[S-])C1O[P+](O)(O)[S-] |
CC(CCC(=O)O)(N(F)F)N(F)F | sour | pKa between 2 and 7 | IUPAC Dissocation Constants | CC(CCC(=O)O)(N(F)F)N(F)F |
O=C(OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1O)c1ccccc1 | bitter | Non-sweet; Bitter, Bitterness | chemtastes_db | O=C(OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1O)c1ccccc1 |
COC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)OC5OCC(O)C(OC6OC(CO)C(O)C(O)C6O)C5O)C(O)CC34C)C2(C)C)C(O)C(O)C1O | sweet | sweet-like | flavor_db | COC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)OC5OCC(O)C(OC6OC(CO)C(O)C(O)C6O)C5O)C(O)CC34C)C2(C)C)C(O)C(O)C1O |
OC1CC(OI)C(OC2C(O)C(O)OC(COI)C2O)OC1COI | sweet | sweet-like | flavor_db | OC1CC(OI)C(OC2C(O)C(O)OC(COI)C2O)OC1COI |
CC(=O)c1ccc(C(C)C)cc1 | undefined | woody, herbal, spicy | flavor_db | CC(=O)c1ccc(C(C)C)cc1 |
CC1OC(OC(CO)C2OC(O)C(O)C2O)C(O)C(O)C1O | sweet | sweet-like | flavor_db | CC1OC(OC(CO)C2OC(O)C(O)C2O)C(O)C(O)C1O |
CCCCCCCC1OC2C(CO)OC(OC)C(O)C2O1 | sweet | sweet | flavor_db | CCCCCCCC1OC2C(CO)OC(OC)C(O)C2O1 |
CC=CC(=O)CC | undefined | ethereal, pungent, tropical, metallic, spicy, green | flavor_db | CC=CC(=O)CC |
CCCC/C=C\C(=O)O | sour | pKa between 2 and 7 | IUPAC Dissocation Constants | CCCC/C=C\C(=O)O |
CC1CCCC(C)(C)C1=O | undefined | pungent, honey, cistus, labdanum, thujone | flavor_db | CC1CCCC(C)(C)C1=O |
CCCP(O)(=S)CCC | sour | pKa between 2 and 7 | IUPAC Dissocation Constants | CCCP(O)(=S)CCC |
Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OS(=O)(=O)O)C(O)C1O | sweet | sweet-like | flavor_db | Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OS(=O)(=O)O)C(O)C1O |
CC(NC(=Nc1ccc2ccccc2c1)NCC(=O)O)c1ccccc1 | sweet | Sweet, Sweetness | chemtastes_db | CC(NC(=Nc1ccc2ccccc2c1)NCC(=O)O)c1ccccc1 |
O=C(CCC([N+](=O)[O-])[N+](=O)[O-])c1ccccc1 | sour | pKa between 2 and 7 | IUPAC Dissocation Constants | O=C(CCC([N+](=O)[O-])[N+](=O)[O-])c1ccccc1 |
OC1CCCCC1 | undefined | phenol, menthol, camphor | flavor_db | OC1CCCCC1 |
CNc1nc(N)nc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O | sweet | sweet-like | flavor_db | CNc1nc(N)nc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O |
CC(NC(=O)C(CC(=O)O)NC(=O)C(Cc1ccccc1)NC(=O)C(N)C(C)C)C(=O)O | sweet | sweet | flavor_db | CC(NC(=O)C(CC(=O)O)NC(=O)C(Cc1ccccc1)NC(=O)C(N)C(C)C)C(=O)O |
CC1OC(OC2C(=O)c3c(O)cc(O)cc3OC2c2ccc(O)c(OC3OC(CO)C(O)C(O)C3O)c2)C(O)C(O)C1O | sweet | sweet-like | flavor_db | CC1OC(OC2C(=O)c3c(O)cc(O)cc3OC2c2ccc(O)c(OC3OC(CO)C(O)C(O)C3O)c2)C(O)C(O)C1O |
CC1OC(n2cnc3c(N)ncnc32)C(OP(=O)(O)O)C1O | sweet | sweet-like | flavor_db | CC1OC(n2cnc3c(N)ncnc32)C(OP(=O)(O)O)C1O |
C[Ge](C)(C)CCCCOCC1OC(O)C(O)C(O)C1O | sweet | sweet | flavor_db | C[Ge](C)(C)CCCCOCC1OC(O)C(O)C(O)C1O |
CC(C)CC(NC(=O)C(C)N)C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CCC(N)=O)C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(Cc1ccccc1)C(=O)O)C(C)C)C(C)C | sweet | sweet | flavor_db | CC(C)CC(NC(=O)C(C)N)C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CCC(N)=O)C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(Cc1ccccc1)C(=O)O)C(C)C)C(C)C |
CC1(C)OC2COC3(COS(N)(=O)=O)OC(C)(C)OC3C2O1 | bitter | Bitter, Bitterness | chemtastes_db | CC1(C)OC2COC3(COS(N)(=O)=O)OC(C)(C)OC3C2O1 |
CC1=CC(O)C(O)C2(C)C1CC1OC(=O)CC3C(C)C(O)C4(O)OCC13C42 | bitter | bitter | phytocompounds_db | CC1=CC(O)C(O)C2(C)C1CC1OC(=O)CC3C(C)C(O)C4(O)OCC13C42 |
OC1OCC(Cc2ccc3c(c2)OCO3)C1Cc1ccc2c(c1)OCO2 | bitter | bitter | phytocompounds_db | OC1OCC(Cc2ccc3c(c2)OCO3)C1Cc1ccc2c(c1)OCO2 |
O=c1cc(-c2ccc(O)c(O)c2)oc2cc(OC3OC(CO)C(O)C(O)C3O)c(C3OCC(O)C(O)C3O)c(O)c12 | sweet | sweet-like | flavor_db | O=c1cc(-c2ccc(O)c(O)c2)oc2cc(OC3OC(CO)C(O)C(O)C3O)c(C3OCC(O)C(O)C3O)c(O)c12 |
COc1cc(O)cc2oc(-c3ccc(O)c(O)c3)c(OC3OC(CO)C(O)C(O)C3O)c(=O)c12 | sweet | sweet-like | flavor_db | COc1cc(O)cc2oc(-c3ccc(O)c(O)c3)c(OC3OC(CO)C(O)C(O)C3O)c(=O)c12 |
CCCOCCOCC1OC(OC)C(O)C(O)C1OC | sweet | sweet-like | flavor_db | CCCOCCOCC1OC(OC)C(O)C(O)C1OC |
COC1CC(OC2C(C)OC(OC3CCC(O)OC3C)CC2OC)OC(C)C1O | sweet | sweet | flavor_db | COC1CC(OC2C(C)OC(OC3CCC(O)OC3C)CC2OC)OC(C)C1O |
COC1OC(C)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OC1OC(CO)C(O)C(O)C1O | sweet | sweet | flavor_db | COC1OC(C)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OC1OC(CO)C(O)C(O)C1O |
Cc1oc2cc(OC3OC(CO)C(O)C(O)C3O)ccc2c(=O)c1-c1ccc2c(c1)OCCO2 | sweet | sweet-like | flavor_db | Cc1oc2cc(OC3OC(CO)C(O)C(O)C3O)ccc2c(=O)c1-c1ccc2c(c1)OCCO2 |
CC(C)(O)C=CC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(C=C(O)C(=O)C4(C)C)C3(C)C(=O)CC12C | bitter | Bitter, Bitterness | chemtastes_db | CC(C)(O)C=CC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(C=C(O)C(=O)C4(C)C)C3(C)C(=O)CC12C |
CC(=O)C=O | sour | brown, ethereal, acidic, sweet, rum | flavor_db | CC(=O)C=O |
COc1cc(-c2oc3cc(OC4OC(C)C(O)C(O)C4O)cc(O)c3c(=O)c2OC2OC(C)C(O)C(O)C2O)ccc1O | sweet | sweet-like | flavor_db | COc1cc(-c2oc3cc(OC4OC(C)C(O)C(O)C4O)cc(O)c3c(=O)c2OC2OC(C)C(O)C(O)C2O)ccc1O |
CC(=O)OC(C)CCCC(C)C | undefined | earthy, herbal, undergrowth, humus | flavor_db | CC(=O)OC(C)CCCC(C)C |
CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)C(N)CC(=O)O)C(=O)NC(CC(N)=O)C(=O)O | sweet | sweet | flavor_db | CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)C(N)CC(=O)O)C(=O)NC(CC(N)=O)C(=O)O |
COc1ccc(C2CC(=O)c3c(O)cc(OC4OC(COC5OC(C)C(O)C(O)C5O)CC(O)C4O)cc3O2)cc1O | sweet | sweet-like | flavor_db | COc1ccc(C2CC(=O)c3c(O)cc(OC4OC(COC5OC(C)C(O)C(O)C5O)CC(O)C4O)cc3O2)cc1O |
CC(N)C(=O)NC(CO)C(=O)NC(CC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)O | sweet | sweet | flavor_db | CC(N)C(=O)NC(CO)C(=O)NC(CC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)O |
COCOc1cc(C2Cc3cccc(O)c3C(=O)O2)ccc1OC | sweet | sweet-like | flavor_db | COCOc1cc(C2Cc3cccc(O)c3C(=O)O2)ccc1OC |
O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O | sour | pKa between 2 and 7 | IUPAC Dissocation Constants | O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O |
CCc1ccc(O)cc1 | undefined | smoke, castoreum, spice, alcohol, guaiacol, phenol, medicinal, phenolic | flavor_db | CCc1ccc(O)cc1 |
O=C1c2c(O)cc(O)cc2OC(c2ccc(O)c(O)c2)C1OC1OC(CO)C(O)C(O)C1O | sweet | sweet-like | flavor_db | O=C1c2c(O)cc(O)cc2OC(c2ccc(O)c(O)c2)C1OC1OC(CO)C(O)C(O)C1O |
CC(=O)OCC1(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CCC2(C(=O)OC2OC(C)C(O)C(O)C2O)CC1O | sweet | sweet-like | flavor_db | CC(=O)OCC1(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CCC2(C(=O)OC2OC(C)C(O)C(O)C2O)CC1O |
O=C(O)/C=C\c1ccc(O)cc1O | sour | pKa between 2 and 7 | IUPAC Dissocation Constants | O=C(O)/C=C\c1ccc(O)cc1O |
CCCCCC(CC)OC(C)=O | undefined | mint, apple, rose, fresh, green, woody, bergamot, grapefruit | flavor_db | CCCCCC(CC)OC(C)=O |
CC(C)=CCCC(C)(O)C1CCC(C)=CC1=O | undefined | Non-sweet, Non-sweetness | chemtastes_db | CC(C)=CCCC(C)(O)C1CCC(C)=CC1=O |
C=C1CCc2c(C)ccc3c(C=O)c(=O)oc-3c21 | bitter | bitter | phytocompounds_db | C=C1CCc2c(C)ccc3c(C=O)c(=O)oc-3c21 |
Nc1ncnc2c1ncn2C1OC(CO[P+](O)([Se-])OP(=O)(O)O)C(O)C1O | sweet | sweet-like | flavor_db | Nc1ncnc2c1ncn2C1OC(CO[P+](O)([Se-])OP(=O)(O)O)C(O)C1O |
CCCCc1nc(N)c2ncn(C3OC(COP(O)(O)=S)C(O)C3O)c2n1 | sweet | sweet-like | flavor_db | CCCCc1nc(N)c2ncn(C3OC(COP(O)(O)=S)C(O)C3O)c2n1 |
COC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)OC)CCC34C)C2(C)C)C(O)C(O)C1OC1OCC(O)C(O)C1O | sweet | sweet-like | flavor_db | COC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)OC)CCC34C)C2(C)C)C(O)C(O)C1OC1OCC(O)C(O)C1O |
Cc1ccccc1[Se]CC(=O)O | sour | pKa between 2 and 7 | IUPAC Dissocation Constants | Cc1ccccc1[Se]CC(=O)O |
CC(=O)N(C)c1ccccc1S | sour | pKa between 2 and 7 | IUPAC Dissocation Constants | CC(=O)N(C)c1ccccc1S |
O=[N+]([O-])c1ccc(O)c(O)c1 | sour | pKa between 2 and 7 | IUPAC Dissocation Constants | O=[N+]([O-])c1ccc(O)c(O)c1 |
CC(COC(=O)C1CCC1)NC(=O)C(N)CC(=O)O | sweet | Sweet, Sweetness | chemtastes_db | CC(COC(=O)C1CCC1)NC(=O)C(N)CC(=O)O |
O=C(O)c1c[nH]c(=O)[nH]c1=O | sour | pKa between 2 and 7 | IUPAC Dissocation Constants | O=C(O)c1c[nH]c(=O)[nH]c1=O |
CC1OC(O)C(O)C(O)C1OC1OCC(O)C(O)C1O | sweet | sweet-like | flavor_db | CC1OC(O)C(O)C(O)C1OC1OCC(O)C(O)C1O |
CC(O)C1OCOC(CO)C1O | sweet | sweet | flavor_db | CC(O)C1OCOC(CO)C1O |
CC(C)CC(NC(=O)C(N)CCC(N)=O)C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(Cc1ccccc1)C(=O)O | sweet | sweet | flavor_db | CC(C)CC(NC(=O)C(N)CCC(N)=O)C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(Cc1ccccc1)C(=O)O |
CC(=O)c1ccc(CC(=O)O)s1 | sour | pKa between 2 and 7 | IUPAC Dissocation Constants | CC(=O)c1ccc(CC(=O)O)s1 |
O=C(O)c1cc(Cl)ccc1O | sour | pKa between 2 and 7 | IUPAC Dissocation Constants | O=C(O)c1cc(Cl)ccc1O |
COC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)O)CCC34C)C2(C)C)C(O)C(OC2OCC(O)C(O)C2O)C1O | sweet | sweet-like | flavor_db | COC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)O)CCC34C)C2(C)C)C(O)C(OC2OCC(O)C(O)C2O)C1O |
CC(NC(=O)C(CC(N)=O)NC(=O)C(N)Cc1ccccc1)C(=O)NC(CC(=O)O)C(=O)O | sweet | sweet | flavor_db | CC(NC(=O)C(CC(N)=O)NC(=O)C(N)Cc1ccccc1)C(=O)NC(CC(=O)O)C(=O)O |
CC(NC(=O)C(CC(=O)O)NC(=O)C(N)Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)O | sweet | sweet | flavor_db | CC(NC(=O)C(CC(=O)O)NC(=O)C(N)Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)O |
CCC(=O)OCCC(C)CCC=C(C)C | undefined | Bitter/Sweet, Multitaste | chemtastes_db | CCC(=O)OCCC(C)CCC=C(C)C |
CC(=O)C=CC1C(C)=CCCC1(C)C | sweet | floral, sweet, woody, tropical, fruity, wood, orris, raspberry, violet | flavor_db | CC(=O)C=CC1C(C)=CCCC1(C)C |
CC1=NN(c2ccccc2)C(=O)C1C(=O)c1ccccc1 | sour | pKa between 2 and 7 | IUPAC Dissocation Constants | CC1=NN(c2ccccc2)C(=O)C1C(=O)c1ccccc1 |
Nc1nc(=O)c2ncn(C3OC(COP(=O)(O)O)C(O)C3O)c2[nH]1 | undefined | odorless | flavor_db | Nc1nc(=O)c2ncn(C3OC(COP(=O)(O)O)C(O)C3O)c2[nH]1 |
CCCCN(C)c1ncnc2c1ncn2C1OC2COP(=O)(O)OC2C1O | sweet | sweet-like | flavor_db | CCCCN(C)c1ncnc2c1ncn2C1OC2COP(=O)(O)OC2C1O |
COC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)OC)CCC34C)C2(C)C)C(O)C(OC2OCC(O)C(O)C2O)C1O | sweet | sweet-like | flavor_db | COC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)OC)CCC34C)C2(C)C)C(O)C(OC2OCC(O)C(O)C2O)C1O |
O=C(O)CCNC(=O)Nc1ccc(C(=O)O)cc1 | undefined | Tasteless, Tastelessness | chemtastes_db | O=C(O)CCNC(=O)Nc1ccc(C(=O)O)cc1 |
OCCC(O)CO | sweet | sweet-like | flavor_db | OCCC(O)CO |
Nc1ncnc2c1ncn2C1OC(C(O)OP(=O)(O)C(P(=O)(O)O)P(=O)(O)O)C(O)C1O | sweet | sweet-like | flavor_db | Nc1ncnc2c1ncn2C1OC(C(O)OP(=O)(O)C(P(=O)(O)O)P(=O)(O)O)C(O)C1O |
O=C1NS(=O)(=O)c2cccc([N+](=O)[O-])c21 | undefined | Bitter; Sweet, Multitaste | chemtastes_db | O=C1NS(=O)(=O)c2cccc([N+](=O)[O-])c21 |
O=C(O)CCC(=O)NCCc1ccc(O)cc1 | umami | Umami, Umaminess | chemtastes_db | O=C(O)CCC(=O)NCCc1ccc(O)cc1 |