CAS: 458-37-7 Molecular Formula: C21H20O6 Molecular Weight (g/mol): 368.39 MDL Number: MFCD00008365 InChI Key: ZIUSSTSXXLLKKK-KOBPDPAPSA-N Synonym: curcumin i, halad, gelbwurz, kacha haldi, curcuma, turmeric, turmeric yellow, natural yellow 3, diferuloylmethane, curcumin PubChem CID: 969516 ChEBI: CHEBI:3962 IUPAC Name: (1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione SMILES: COC1=CC(\C=C\C(\O)=C\C(=O)\C=C\C2=CC=C(O)C(OC)=C2)=CC=C1O

CAS: 104-54-1 Molecular Formula: C₉H₁₀O Molecular Weight (g/mol): 134.18 MDL Number: MFCD00002921 InChI Key: OOCCDEMITAIZTP-QPJJXVBHSA-N Synonym: styryl alcohol, trans-cinnamyl alcohol, 3-phenylallyl alcohol, e-3-phenylprop-2-en-1-ol, styryl carbinol, zimtalcohol, 3-phenylprop-2-en-1-ol, 3-phenyl-2-propen-1-ol, cinnamic alcohol, cinnamyl alcohol PubChem CID: 5315892 ChEBI: CHEBI:33227 IUPAC Name: (E)-3-phenylprop-2-en-1-ol SMILES: C1=CC=C(C=C1)C=CCO

CAS: 614-60-8 Molecular Formula: C9H8O3 Molecular Weight (g/mol): 164.16 MDL Number: MFCD00004379 InChI Key: PMOWTIHVNWZYFI-AATRIKPKSA-N Synonym: o-hydroxy-trans-cinnamic acid, 2-hydroxycinnamate, e-o-hydroxycinnamic acid, 2-coumarate, trans-o-coumaric acid, trans-o-hydroxycinnamic acid, 2-coumaric acid, trans-2-hydroxycinnamic acid, o-coumaric acid, 2-hydroxycinnamic acid PubChem CID: 637540 ChEBI: CHEBI:18125 IUPAC Name: (E)-3-(2-hydroxyphenyl)prop-2-enoic acid SMILES: OC(=O)\C=C\C1=CC=CC=C1O

CAS: 91-64-5 Molecular Formula: C9H6O2 Molecular Weight (g/mol): 146.15 MDL Number: MFCD00006850 InChI Key: ZYGHJZDHTFUPRJ-UHFFFAOYSA-N Synonym: benzo-alpha-pyrone, coumarine, coumarinic anhydride, tonka bean camphor, rattex, 1,2-benzopyrone, cumarin, 2h-1-benzopyran-2-one, 2h-chromen-2-one, coumarin PubChem CID: 323 ChEBI: CHEBI:28794 IUPAC Name: 2H-chromen-2-one SMILES: O=C1OC2=CC=CC=C2C=C1

CAS: 501-52-0 Molecular Formula: C₉H₁₀O₂ Molecular Weight (g/mol): 150.18 MDL Number: MFCD00002771 InChI Key: XMIIGOLPHOKFCH-UHFFFAOYSA-N Synonym: beta-phenylpropionic acid, phenylpropanoate, 3-phenyl-propionic acid, phenylpropanoic acid, benzenepropionic acid, dihydrocinnamic acid, benzenepropanoic acid, benzylacetic acid, 3-phenylpropionic acid, hydrocinnamic acid PubChem CID: 107 ChEBI: CHEBI:28631 IUPAC Name: 3-phenylpropanoic acid SMILES: C1=CC=C(C=C1)CCC(=O)O

CAS: 1076-38-6 Molecular Formula: C9H6O3 Molecular Weight (g/mol): 162.14 MDL Number: MFCD00006856 InChI Key: OWBBAPRUYLEWRR-UHFFFAOYSA-N Synonym: unii-x954zll2rd, 4-hydroxy-chromen-2-one, 4-hydroxy-1-benzopyran-2-one, 4-hydroxy-2h-1-benzopyran-2-one, 2h-1-benzopyran-2-one, 4-hydroxy, coumarin, 4-hydroxy, benzotetronic acid, 4-hydroxy-2h-chromen-2-one, 4-coumarinol, 4-hydroxycoumarin PubChem CID: 54682930 ChEBI: CHEBI:40070 IUPAC Name: 4-hydroxychromen-2-one SMILES: OC1=CC(=O)C2=CC=CC=C2O1

CAS: 6151-25-3 Molecular Formula: C15H14O9 Molecular Weight (g/mol): 338.27 MDL Number: MFCD00149487 InChI Key: GMGIWEZSKCNYSW-UHFFFAOYSA-N Synonym: 2-3,4-dihydroxyphenyl-3,5,7-trihydroxy-4h-1-benzopyran-4-one dihydrate, dsstox_cid_1219, flavone, 3,3',4',5,7-pentahydroxy-, dihydrate, quercetin dihydrate sophoretin, 3,3',4',5,7-pentahydroxyflavone dihydrate, ccris 3304, quercetin, dihydrate, quercetine dihydrate, 2-3,4-dihydroxyphenyl-3,5,7-trihydroxy-4h-chromen-4-one dihydrate, quercetin dihydrate PubChem CID: 5284452 IUPAC Name: 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;dihydrate SMILES: O.O.OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC=C(O)C(O)=C2)=C1

CAS: 207671-50-9 Molecular Formula: C27H30O16.nH2O Molecular Weight (g/mol): 610.52 MDL Number: MFCD00006830 InChI Key: IKGXIBQEEMLURG-NVPNHPEKSA-N Synonym: bioflavonoid, 3-rutinosyl quercetin, venoruton, myrticolorin, eldrin, birutan, quercetin 3-rutinoside, phytomelin, rutoside, rutin PubChem CID: 5280805 ChEBI: CHEBI:28527 IUPAC Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one SMILES: C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC=C(O)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O

CAS: 458-37-7 Molecular Formula: C21H20O6 Molecular Weight (g/mol): 368.39 MDL Number: MFCD00008365 InChI Key: ZIUSSTSXXLLKKK-KOBPDPAPSA-N Synonym: curcumin i, halad, gelbwurz, kacha haldi, curcuma, turmeric, turmeric yellow, natural yellow 3, diferuloylmethane, curcumin PubChem CID: 969516 ChEBI: CHEBI:3962 IUPAC Name: (1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione SMILES: COC1=CC(\C=C\C(\O)=C\C(=O)\C=C\C2=CC=C(O)C(OC)=C2)=CC=C1O

CAS: 575-03-1 Molecular Formula: C10H5F3O3 Molecular Weight (g/mol): 230.142 MDL Number: MFCD00037578 InChI Key: CCKWMCUOHJAVOL-UHFFFAOYSA-N Synonym: tfmu, maybridge1_006885, 7,4-hfc, 2h-1-benzopyran-2-one, 7-hydroxy-4-trifluoromethyl, 7-hydroxy-4-trifluoromethyl-chromen-2-one, 4-trifluoromethyl umbelliferone, 7-hydroxy-4-trifluoromethyl chromen-2-one, 7-hydroxy-4-trifluoromethyl-2h-chromen-2-one, 7-hydroxy-4-trifluoromethylcoumarin, 7-hydroxy-4-trifluoromethyl coumarin PubChem CID: 5375667 IUPAC Name: 7-hydroxy-4-(trifluoromethyl)chromen-2-one SMILES: C1=CC2=C(C=C1O)OC(=O)C=C2C(F)(F)F

CAS: 552-94-3 Molecular Formula: C₁₄H₁₀O₅ Molecular Weight (g/mol): 258.22 MDL Number: MFCD00020252 InChI Key: WVYADZUPLLSGPU-UHFFFAOYSA-N Synonym: diacesal, salina, 2-carboxyphenyl salicylate, saloxium, sasapyrinum, disalcid, disalicylic acid, salicylsalicylic acid, sasapyrine, salsalate PubChem CID: 5161 ChEBI: CHEBI:9014 IUPAC Name: 2-(2-hydroxybenzoyl)oxybenzoic acid SMILES: C1=CC=C(C(=C1)C(=O)OC2=CC=CC=C2C(=O)O)O

CAS: 118-55-8 Molecular Formula: C₁₃H₁₀O₃ Molecular Weight (g/mol): 214.22 InChI Key: ZQBAKBUEJOMQEX-UHFFFAOYSA-N Synonym: phenyl-2-hydroxybenzoate, 2-hydroxybenzoic acid phenyl ester, salicylic acid, phenyl ester, benzoic acid, 2-hydroxy-, phenyl ester, 2-phenoxycarbonylphenol, musol, salphenyl, phenol salicylate, salol, phenyl salicylate PubChem CID: 8361 ChEBI: CHEBI:34918 IUPAC Name: phenyl 2-hydroxybenzoate SMILES: C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O

CAS: 14371-10-9 Molecular Formula: C9H8O Molecular Weight (g/mol): 132.16 MDL Number: MFCD00007000 InChI Key: KJPRLNWUNMBNBZ-QPJJXVBHSA-N Synonym: 2e-3-phenylprop-2-enal, 3-phenylpropenal, cinnamylaldehyde, zimtaldehyde, 3-phenylacrylaldehyde, cinnamal, e-cinnamaldehyde, cinnamic aldehyde, trans-cinnamaldehyde, cinnamaldehyde PubChem CID: 637511 ChEBI: CHEBI:16731 IUPAC Name: (E)-3-phenylprop-2-enal SMILES: O=C\C=C\C1=CC=CC=C1

CAS: 250249-75-3 Molecular Formula: C27H36O19 Molecular Weight (g/mol): 664.566 MDL Number: MFCD00149490 InChI Key: NLLBWFFSGHKUSY-JPRRWYCFSA-N Synonym: rutin trihydrate, analytical standard, rutin trihydrate hplc, rutin hydrate jan, rutoside trihydrate ep, 2-3,4-dihydroxyphenyl-5,7-dihydroxy-3-2s,3r,4s,5s,6r-3,4,5-trihydroxy-6-2r,3r,4r,5r,6s-3,4,5-trihydroxy-6-methyltetrahydro-2h-pyran-2-yl oxy methyl tetrahydro-2h-pyran-2-yl oxy-4h-chromen-4-one trihydrate, unii-rf4n03853g, rutin hydrate, rutin trihydrate, +-rutin trihydrate, rutoside trihydrate PubChem CID: 16218542 IUPAC Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one;trihydrate SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O.O.O.O

CAS: 1135-24-6 Molecular Formula: C₁₀H₁₀O₄ Molecular Weight (g/mol): 194.19 MDL Number: MFCD00004400 InChI Key: KSEBMYQBYZTDHS-HWKANZROSA-N Synonym: 2-propenoic acid, 3-4-hydroxy-3-methoxyphenyl, ferulic acid, trans, ferulate, coniferic acid, e-ferulic acid, 3-4-hydroxy-3-methoxyphenyl acrylic acid, trans-4-hydroxy-3-methoxycinnamic acid, 4-hydroxy-3-methoxycinnamic acid, trans-ferulic acid, ferulic acid PubChem CID: 445858 ChEBI: CHEBI:17620 IUPAC Name: (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid SMILES: COC1=C(C=CC(=C1)C=CC(=O)O)O

CAS: 64-72-2 Molecular Formula: C₂₂H₂₃ClN₂O₈·HCl Molecular Weight (g/mol): 515.33 MDL Number: MFCD00082440 InChI Key: QYAPHLRPFNSDNH-CIVPRPTRSA-N Synonym: 2-azanyl oxidanyl methylidene-7-chloranyl-4-dimethylamino-6-methyl-6,10,11,12a-tetrakis oxidanyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione hydrochloride, 2-amino hydroxy methylidene-7-chloro-4-dimethylamino-6,10,11,12a-tetrahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione hydrochloride, 4-epi-chlortetracycline hydrochloride, chlortetracycline hydrochloride PubChem CID: 66577600 IUPAC Name: (4S,4aR,5aS,6S,12aR)-7-chloro-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;hydrochloride SMILES: CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C(C=CC(=C41)Cl)O)O)O)O)C(=O)N)N(C)C)O.Cl

CAS: 15486-19-8 Molecular Formula: C11H10O4 Molecular Weight (g/mol): 206.197 MDL Number: MFCD00016847 InChI Key: BYHBHNKBISXCEP-QPJJXVBHSA-N Synonym: 3-4-acetoxyphenyl-2-propenoic acid, 2e-3-4-acetyloxy phenyl prop-2-enoic acid, acetylated coumaric acid, 4-acetoxycinnamic acid, predominantly trans, 3-4-acetyloxy phenyl prop-2-enoic acid, trans-4-acetoxycinnamic acid, 2-propenoic acid, 3-4-acetyloxy phenyl, 3-4-acetoxyphenyl acrylic acid, p-acetoxycinnamic acid, 4-acetoxycinnamic acid PubChem CID: 5373941 ChEBI: CHEBI:86580 IUPAC Name: (E)-3-(4-acetyloxyphenyl)prop-2-enoic acid SMILES: CC(=O)OC1=CC=C(C=C1)C=CC(=O)O

CAS: 5345-89-1 Molecular Formula: C9H6Cl2O2 Molecular Weight (g/mol): 217.05 MDL Number: MFCD00004374 InChI Key: OIPVGRCXMFBNAN-SNAWJCMRSA-N Synonym: 2,6-dichlorocinnamic acid, predominantly trans, 3-2,6-dichlorophenyl propenoic acid, cinnamic acid, 2,6-dichloro-6ci,7ci, 3-2,6-dichlorophenyl-2-propenoic acid, 2-propenoic acid, 3-2,6-dichlorophenyl, 2e-3-2,6-dichlorophenyl acrylic acid, 2e-3-2,6-dichlorophenyl prop-2-enoic acid, e-3-2,6-dichlorophenyl acrylic acid, 3-2,6-dichlorophenyl acrylic acid, 2,6-dichlorocinnamic acid PubChem CID: 731762 IUPAC Name: (E)-3-(2,6-dichlorophenyl)prop-2-enoic acid SMILES: OC(=O)\C=C\C1=C(Cl)C=CC=C1Cl

CAS: 635-51-8 Molecular Formula: C₁₀H₁₀O₄ Molecular Weight (g/mol): 194.19 MDL Number: MFCD00004256 InChI Key: LVFFZQQWIZURIO-UHFFFAOYSA-N Synonym: butanedioic acid, 2-phenyl, phenylsuccinate, .alpha.-phenylsuccinic acid, 2-phenylsuccinate, succinic acid, phenyl, butanedioic acid, phenyl, phenyl succinic acid, 2-phenylsuccinic acid, dl-phenylsuccinic acid, phenylsuccinic acid PubChem CID: 95459 IUPAC Name: 2-phenylbutanedioic acid SMILES: C1=CC=C(C=C1)C(CC(=O)O)C(=O)O

CAS: 529-84-0 Molecular Formula: C10H8O4 Molecular Weight (g/mol): 192.17 MDL Number: MFCD00006859 InChI Key: KVOJTUXGYQVLAJ-UHFFFAOYSA-N Synonym: 6,7-dihydroxy-4-methyl-2h-benzopyran-2-one, coumarin, 6,7-dihydroxy-4-methyl, 2h-1-benzopyran-2-one, 6,7-dihydroxy-4-methyl, 4-methyl-6,7-dihydroxycoumarin, 4-methylesculetol, 4-methylaesculetin, 6,7-dihydroxy-4-methyl-2h-chromen-2-one, methylesculetin, 6,7-dihydroxy-4-methylcoumarin, 4-methylesculetin PubChem CID: 5319502 IUPAC Name: 6,7-dihydroxy-4-methylchromen-2-one SMILES: CC1=CC(=O)OC2=CC(=C(C=C12)O)O

CAS: 15687-27-1 Molecular Formula: C13H18O2 Molecular Weight (g/mol): 206.29 MDL Number: MFCD00010393 InChI Key: HEFNNWSXXWATRW-UHFFFAOYNA-N Synonym: anflagen, nuprin, liptan, dolgit, advil, nurofen, brufen, motrin, 2-4-isobutylphenyl propanoic acid, ibuprofen PubChem CID: 3672 ChEBI: CHEBI:5855 IUPAC Name: 2-[4-(2-methylpropyl)phenyl]propanoic acid SMILES: CC(C)CC1=CC=C(C=C1)C(C)C(O)=O

CAS: 717-94-2 Molecular Formula: C11H14O4 Molecular Weight (g/mol): 210.229 MDL Number: MFCD03425685 InChI Key: LMBOJOXVLORKSQ-UHFFFAOYSA-N Synonym: 3-3,5-dimethoxy-phenyl-propionic acid, 3-3,5-dimethoxyphenyl propionicacid, 3,5-dimethoxybenzenepropionic acid, benzenepropanoic acid, 3,5-dimethoxy, 3-3,5-dimethoxyphenyl propanoic acid, 3-3,5-dimethoxyphenyl propionic acid PubChem CID: 3870216 IUPAC Name: 3-(3,5-dimethoxyphenyl)propanoic acid SMILES: COC1=CC(=CC(=C1)CCC(=O)O)OC

CAS: 492-37-5 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.177 MDL Number: MFCD00002650 InChI Key: YPGCWEMNNLXISK-UHFFFAOYSA-N Synonym: alpha-phenylpropionic acid, hydratropasaeure, benzeneacetic acid, .alpha.-methyl, alpha-methylbenzeneacetic acid, +/--2-phenylpropionic acid, 2-phenyl-propionic acid, alpha-methylphenylacetic acid, dl-2-phenylpropionic acid, hydratropic acid, 2-phenylpropionic acid PubChem CID: 10296 ChEBI: CHEBI:48526 IUPAC Name: 2-phenylpropanoic acid SMILES: CC(C1=CC=CC=C1)C(=O)O

CAS: 635-51-8 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.186 MDL Number: MFCD00004256 InChI Key: LVFFZQQWIZURIO-UHFFFAOYSA-N Synonym: butanedioic acid, 2-phenyl, phenylsuccinate, .alpha.-phenylsuccinic acid, 2-phenylsuccinate, succinic acid, phenyl, butanedioic acid, phenyl, phenyl succinic acid, 2-phenylsuccinic acid, dl-phenylsuccinic acid, phenylsuccinic acid PubChem CID: 95459 IUPAC Name: 2-phenylbutanedioic acid SMILES: C1=CC=C(C=C1)C(CC(=O)O)C(=O)O

CAS: 950603-27-7 Molecular Formula: C17H12F5NO5S Molecular Weight (g/mol): 437.34 MDL Number: MFCD09879986 InChI Key: FDXYCKHOIXBDOA-UHFFFAOYSA-N Synonym: 2-4-morpholinylsulfonyl benzoic acid 2,3,4,5,6-pentafluorophenyl ester, 2,3,4,5,6-pentakis fluoranyl phenyl 2-morpholin-4-ylsulfonylbenzoate, 2,3,4,5,6-pentafluorophenyl 2-4-morpholinylsulfonyl benzoate, 2,3,4,5,6-pentafluorophenyl 2-morpholinosulfonylbenzoate, pentafluorophenyl 2-morpholin-4-ylsulphonyl benzoate, 2,3,4,5,6-pentafluorophenyl 2-morpholine-4-sulfonyl benzoate, pentafluorophenyl 2-morpholine-4-sulfonyl benzoate, pentafluorophenyl 2-morpholinosulfonyl benzoate PubChem CID: 24229773 IUPAC Name: (2,3,4,5,6-pentafluorophenyl) 2-morpholin-4-ylsulfonylbenzoate SMILES: FC1=C(F)C(F)=C(OC(=O)C2=CC=CC=C2S(=O)(=O)N2CCOCC2)C(F)=C1F

CAS: 20170-32-5 Molecular Formula: C17H25O3 Molecular Weight (g/mol): 277.39 MDL Number: MFCD00017519 InChI Key: WPMYUUITDBHVQZ-UHFFFAOYSA-M Synonym: 3-3,5-bis tert-butyl-4-hydroxyphenyl propanoic acid, 3-3,5-ditertbutyl-4-hydroxyphenyl propionic acid, 3,5-bis 1,1-dimethylethyl-4-hydroxybenzenepropanoic acid, 3,5-di-tert-butyl-4-hydroxyhydocinnamic acid, unii-x6g09g700f, benzenepropanoic acid, 3,5-bis 1,1-dimethylethyl-4-hydroxy, 3,5-di-tert-butyl-4-hydroxyphenylpropionic acid, fenozan, 3-3,5-di-tert-butyl-4-hydroxyphenyl propanoic acid, 3-3,5-di-tert-butyl-4-hydroxyphenyl propionic acid PubChem CID: 88389 IUPAC Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid SMILES: CC(C)(C)C1=CC(CCC([O-])=O)=CC(=C1O)C(C)(C)C

CAS: 2657-25-2 Molecular Formula: C15H12O2 Molecular Weight (g/mol): 224.259 MDL Number: MFCD00016484 InChI Key: UAHGNXFYLAJDIN-IZZDOVSWSA-N Synonym: e-1-4-hydroxyphenyl-3-phenyl-prop-2-en-1-one, unii-2k338k8uoa, 2-propen-1-one, 1-4-hydroxyphenyl-3-phenyl, hydroxychalcone, 4', 2-benzal-4'-hydroxyacetophenone, p-cinnamoylphenol, 2e-1-4-hydroxyphenyl-3-phenylprop-2-en-1-one, 1-4-hydroxyphenyl-3-phenylprop-2-en-1-one, chalcone, 4'-hydroxy, 4'-hydroxychalcone PubChem CID: 5282362 ChEBI: CHEBI:34360 IUPAC Name: (E)-1-(4-hydroxyphenyl)-3-phenylprop-2-en-1-one SMILES: C1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)O