| Name | SMILES | Flavor type | Data resource |
|---|---|---|---|
| iridoid | COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C=C[C@@]21C=C(CO)C(=O)O1 | Bitter | PhytoMolecularTasteDB |
| Lagonin | COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C[C@H](O)[C@@H]2C | Bitter | BitterSweet |
| Diterpene derivative 4 | COC(=O)C1C(C)(C)CCC2OC(=O)C34CC(CC(O)C3C21COC(C)=O)C(C)C4=O | Bitter | BitterSweet, ChemTasteDB |
| Yohimbine | COC(=O)C1C(O)CCC2CN3CCc4c([nH]c5ccccc45)C3CC21 | Bitter | Natural_TAS2R_agonists, PlantMolecularTasteDB, BitterDB, ChemTasteDB |
| cocamine | COC(=O)C1C(OC(=O)C2C(c3ccccc3)C(C(=O)OC3CC4CCC(C3C(=O)OC)N4C)C2c2ccccc2)CC2CCC1N2C | Bitter | PlantMolecularTasteDB |
| Cocaine hydrochloride | COC(=O)C1C(OC(=O)c2ccccc2)CC2CCC1N2C | Bitter | BitterSweet, PlantMolecularTasteDB, BitterDB, ChemTasteDB |
| reserpine | COC(=O)C1C2CC3c4[nH]c5cc(OC)ccc5c4CCN3CC2CC(OC(=O)c2cc(OC)c(OC)c(OC)c2)C1OC | Bitter | PlantMolecularTasteDB |
| diosbulbinoside F | COC(=O)C1CC(O)CC2C1=C(OC1OC(CO)C(O)C(O)C1O)CC1C(=O)OC(c3ccoc3)CC12C | Bitter | PlantMolecularTasteDB |
| diosbulbin A | COC(=O)C1CC(O)CC2C1C1CC3(OC(c4ccoc4)CC23C)C(=O)O1 | Bitter | PlantMolecularTasteDB |
| trans-p-Coumaric acid methyl ester | COC(=O)C=Cc1ccc(O)cc1 | Bitter | BitterDB, ChemTasteDB |
| Trimethyl citrate | COC(=O)CC(O)(CC(=O)OC)C(=O)OC | Bitter | BitterSweet |
| desacetylisonimbinolide | COC(=O)CC1C2(C)C3=C(C)C(C4=CC(=O)OC4O)CC3OC2C(O)C2C(C)(C(=O)OC)C=CC(=O)C21C | Bitter | PlantMolecularTasteDB |
| desacetylnimbinolide | COC(=O)CC1C2(C)C3=C(C)C(C4=CC(O)OC4=O)CC3OC2C(O)C2C(C)(C(=O)OC)C=CC(=O)C21C | Bitter | PlantMolecularTasteDB |
| nimbin | COC(=O)CC1C2(C)C3=C(C)C(c4ccoc4)CC3OC2C(OC(C)=O)C2C(C)(C(=O)OC)C=CC(=O)C21C | Bitter | PlantMolecularTasteDB |
| isomargosinolide | COC(=O)CC1C2(C)C=CC(=O)C3(C)COC(C32)C2OC3CC(C4=CC(=O)OC4O)C(C)=C3C21C | Bitter | PlantMolecularTasteDB |
| margosinolide | COC(=O)CC1C2(C)C=CC(=O)C3(C)COC(C32)C2OC3CC(C4=CC(O)OC4=O)C(C)=C3C21C | Bitter | PlantMolecularTasteDB |
| nimbin | COC(=O)C[C@H]1[C@]2(C)C3=C(C)[C@H](c4ccoc4)C[C@H]3O[C@@H]2[C@H](OC(C)=O)[C@H]2[C@](C)(C(=O)OC)C=CC(=O)[C@]12C | Bitter | PhytoMolecularTasteDB |
| BRUCEIN B | COC(=O)[C@@]12OC[C@@]34C(C[C@H]5C(C)=C(O)C(=O)C[C@]5(C)[C@H]3[C@@H](O)[C@@H]1O)OC(=O)[C@H](OC(C)=O)C24 | Bitter | BitterSweet |
| yohimbine | COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 | Bitter | BitterSweet, PhytoMolecularTasteDB |
| cocaine | COC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1N2C | Bitter | PhytoMolecularTasteDB |
| Bruceine C | COC(=O)[C@]12OC[C@@]34[C@H]1[C@@H](OC(=O)/C=C(\C)C(C)(C)O)C(=O)O[C@@H]3C[C@H]1C(C)=C(O)C(=O)C[C@]1(C)[C@H]4[C@@H](O)[C@@H]2O | Bitter | BitterSweet |
| Atranorin | COC(=O)c1c(C)cc(OC(=O)c2c(C)cc(O)c(C=O)c2O)c(C)c1O | Bitter | BitterSweet, PlantMolecularTasteDB, BitterDB, ChemTasteDB |
| Sodium N-[3,5-bis(methoxycarbonyl)phenyl]sulfamate | COC(=O)c1cc(NS(=O)(=O)[O-])cc(C(=O)OC)c1.[Na+] | Bitter | ChemTasteDB |
| Sodium N-(4-methoxycarbonylphenyl)sulfamate | COC(=O)c1ccc(NS(=O)(=O)[O-])cc1.[Na+] | Bitter | ChemTasteDB |
| Methyl 2-[2-(3-hydroxy-4-methoxyphenyl)ethyl]benzoate | COC(=O)c1ccccc1CCc1ccc(OC)c(O)c1 | Bitter | BitterSweet, ChemTasteDB |
| Methyl anthranilate | COC(=O)c1ccccc1N | Bitter | ChemTasteDB, Off-flavor, FlavorDB, AromaDB, BitterDB, Flavornet |
| 2-Methoxy-2-(1-methylcyclohexene-4-yl)-1-propanol | COC(C)(CO)C1CC=C(C)CC1 | Bitter | ChemTasteDB |
| 2-{4-[(E)-(Hydroxyimino)methyl]-3-cyclohexen-1-yl}-2-methoxy-1-propanol | COC(C)(CO)C1CC=C(C=NO)CC1 | Bitter | BitterDB, ChemTasteDB |
| Methyl acetate | COC(C)=O | Bitter | ChemTasteDB, FlavorDB, AromaDB, BitterDB |
| 1-Methyl-5-(1-methoxyethyl)-1,4-cyclohexadiene | COC(C)C1=CCC=C(C)C1 | Bitter | ChemTasteDB |