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: 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: 128-69-8 Molecular Formula: C24H8O6 Molecular Weight (g/mol): 392.32 MDL Number: MFCD00006916 InChI Key: CLYVDMAATCIVBF-UHFFFAOYSA-N Synonym: 3,4:9,10-perylenetetracarboxylic anhydride, perylenetetracarboxylic acid dianhydride, perylo 3,4-cd:9,10-c'd' dipyran-1,3,8,10-tetrone, anthra 2,1,9-def:6,5,10-d'e'f' diisochromene-1,3,8,10-tetraone, perylenetetracarboxylic anhydride, perylene-3,4,9,10-tetracarboxylic dianhydride, ptcda, pigment red 224, 3,4,9,10-perylenetetracarboxylic dianhydride PubChem CID: 67191 IUPAC Name: 7,18-dioxaheptacyclo[14.6.2.2²,⁵.0³,¹².0⁴,⁹.0¹³,²³.0²⁰,²⁴]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone SMILES: O=C1OC(=O)C2=CC=C3C4=CC=C5C(=O)OC(=O)C6=CC=C(C7=CC=C1C2=C37)C4=C56

CAS: 90-33-5 Molecular Formula: C10H8O3 Molecular Weight (g/mol): 176.17 MDL Number: MFCD00006866 InChI Key: HSHNITRMYYLLCV-UHFFFAOYSA-N Synonym: bilcolic, beta-methylumbelliferone, 4-methyl-7-hydroxycoumarin, mendiaxon, cholestil, 7-hydroxy-4-methyl-2h-chromen-2-one, imecromone, 7-hydroxy-4-methylcoumarin, hymecromone, 4-methylumbelliferone PubChem CID: 5280567 ChEBI: CHEBI:17224 IUPAC Name: 7-hydroxy-4-methylchromen-2-one SMILES: CC1=CC(=O)OC2=CC(O)=CC=C12

CAS: 8012-95-1 Molecular Formula: MFCD00131611 Molecular Weight (g/mol): 0.00 MDL Number: MFCD00131611 InChI Key: FFNDMZIBVDSQFI-UHFFFAOYSA-N Synonym: 3,5,7-trihydroxy-2-3,4,5-trihydroxyphenyl benzopyrylium chloride, em6md4aehe, ccris 2518, unii-em6md4aehe, delfinidol chloride, ephdine, delphinidol, delphinidine, delphinidin, delphinidin chloride PubChem CID: 68245 ChEBI: CHEBI:38701 IUPAC Name: 2-(3,4,5-trihydroxyphenyl)chromenylium-3,5,7-triol;chloride SMILES: *

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: 537-98-4 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=CC(\C=C\C(O)=O)=CC=C1O

CAS: 7400-08-0 Molecular Formula: C9H8O3 Molecular Weight (g/mol): 164.16 InChI Key: NGSWKAQJJWESNS-ZZXKWVIFSA-N Synonym: hydroxycinnamic acid, para-coumaric acid, 3-4-hydroxyphenyl acrylic acid, p-cumaric acid, trans-p-coumaric acid, trans-4-hydroxycinnamic acid, 4-coumaric acid, p-hydroxycinnamic acid, 4-hydroxycinnamic acid, p-coumaric acid PubChem CID: 637542 ChEBI: CHEBI:32374 IUPAC Name: (E)-3-(4-hydroxyphenyl)prop-2-enoic acid SMILES: C1=CC(=CC=C1C=CC(=O)O)O

CAS: 530-75-6 Molecular Formula: C₁₆H₁₂O₆ Molecular Weight (g/mol): 300.26 MDL Number: MFCD00143537 InChI Key: DDSFKIFGAPZBSR-UHFFFAOYSA-N Synonym: benzoic acid, 2-acetyloxy-, 2-carboxyphenyl ester, ccris 1740, diplosalsalate, 2-carboxyphenyl 2-acetyloxy benzoate, unii-vbe72mcp5l, diplosal acetate, acetylsalicylsalicyic acid, acesalum, acetylsalicylsalicylic acid, 2-2-acetoxybenzoyl oxy benzoic acid PubChem CID: 10745 IUPAC Name: 2-(2-acetyloxybenzoyl)oxybenzoic acid SMILES: CC(=O)OC1=CC=CC=C1C(=O)OC2=CC=CC=C2C(=O)O

CAS: 60-54-8 Molecular Formula: C22H24N2O8 Molecular Weight (g/mol): 444.44 MDL Number: MFCD00151232 InChI Key: JYHCQVWYCGHXGP-BPPSBWQWSA-N PubChem CID: 54675776 SMILES: CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)C4=C(O)C=CC=C4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)\C(=C(\N)O)C1=O

CAS: 855-97-0 Molecular Formula: C19H18O6 Molecular Weight (g/mol): 342.35 MDL Number: MFCD00017558 InChI Key: CLXVBVLQKLQNRQ-UHFFFAOYSA-N Synonym: 4h-1-benzopyran-4-one, 2-3,4-dimethoxyphenyl-5,7-dimethoxy, luteolin 5,7,3',4'-tetramethyl ether, 2-3,4-dimethoxyphenyl-5,7-dimethoxychromen-4-one, luteolin tetramethylether, 2-3,4-dimethoxyphenyl-5,7-dimethoxy-4h-chromen-4-one, tetramethylluteolin, 5,7,3',4'-tetramethylluteolin, tetramethoxyluteolin, luteolin tetramethyl ether, 3',4',5,7-tetramethoxyflavone PubChem CID: 631170 IUPAC Name: 2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromen-4-one SMILES: COC1=CC(OC)=C2C(=O)C=C(OC2=C1)C1=CC=C(OC)C(OC)=C1

CAS: 486-66-8 Molecular Formula: C₁₅H₁₀O₄ Molecular Weight (g/mol): 254.24 MDL Number: MFCD00016954 InChI Key: ZQSIJRDFPHDXIC-UHFFFAOYSA-N Synonym: 7-hydroxy-3-4-hydroxyphenyl-4-benzopyrone, 7-hydroxy-3-4-hydroxyphenyl chromen-4-one, 4h-1-benzopyran-4-one, 7-hydroxy-3-4-hydroxyphenyl, 7-hydroxy-3-4-hydroxyphenyl-4h-1-benzopyran-4-one, diadzein, 7-hydroxy-3-4-hydroxyphenyl-4h-chromen-4-one, 7,4'-dihydroxyisoflavone, daidzeol, 4',7-dihydroxyisoflavone, daidzein PubChem CID: 5281708 ChEBI: CHEBI:28197 IUPAC Name: 7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one SMILES: C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)O

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: 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-trihydroxy-4H-chromen-4-one dihydrate SMILES: O.O.OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC=C(O)C(O)=C2)=C1

CAS: 16323-43-6 Molecular Formula: C12H10O4 Molecular Weight (g/mol): 218.208 MDL Number: MFCD00002698 InChI Key: AAFXQFIGKBLKMC-KQQUZDAGSA-N Synonym: 3,3'-benzene-1,4-diylbisprop-2-enoic acid, 2'e-3,3'-benzene-1,4-diylbisprop-2-enoic acid, 2e-3-4-1e-2-carboxyeth-1-en-1-yl phenyl prop-2-enoic acid, 3,3'-p-phenylene diacrylic acid, 3,3'-1,4-phenylene bis-2-propenoic acid, unii-0f7e4o8q8y, p-benzenediacrylic acid, p-phenylenediacrylic acid, 1,4-phenylenediacrylic acid, 1,4-benzenediacrylic acid PubChem CID: 759280 IUPAC Name: (E)-3-[4-[(E)-2-carboxyethenyl]phenyl]prop-2-enoic acid SMILES: C1=CC(=CC=C1C=CC(=O)O)C=CC(=O)O

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: 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: 20595-30-6 Molecular Formula: C9H7FO2 Molecular Weight (g/mol): 166.151 MDL Number: MFCD00004383 InChI Key: RTSIUKMGSDOSTI-SNAWJCMRSA-N Synonym: e-3-3-fluorophenyl prop-2-enoic acid, trans-m-fluorocinnamic, 3-3-fluoro-phenyl-acrylic acid, trans 3-fluorocinnamic acid, m-fluorocinnamic acid, e-3-3-fluorophenyl acrylic acid, 2e-3-3-fluorophenyl prop-2-enoic acid, trans-3-fluorocinnamic acid, 3-3-fluorophenyl acrylic acid, 3-fluorocinnamic acid PubChem CID: 1551219 IUPAC Name: (E)-3-(3-fluorophenyl)prop-2-enoic acid SMILES: C1=CC(=CC(=C1)F)C=CC(=O)O

CAS: 119-52-8 Molecular Formula: C16H16O4 Molecular Weight (g/mol): 272.30 MDL Number: MFCD00008411 InChI Key: LRRQSCPPOIUNGX-UHFFFAOYNA-N Synonym: 1,2-bis 4-methoxyphenyl-2-hydroxyethan-1-one, 4,4'-anisoin, benzoin,4'-dimethoxy, p,p'-dimethoxybenzoin, benzoin, 4,4'-dimethoxy, ethanone, 2-hydroxy-1,2-bis 4-methoxyphenyl, p-anisoin, 4,4'-dimethoxybenzoin, 2-hydroxy-1,2-bis 4-methoxyphenyl ethanone, anisoin PubChem CID: 95415 IUPAC Name: 2-hydroxy-1,2-bis(4-methoxyphenyl)ethanone SMILES: COC1=CC=C(C=C1)C(O)C(=O)C1=CC=C(OC)C=C1

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 SMILES: O=C\C=C\C1=CC=CC=C1

CAS: 916420-42-3 Molecular Formula: C10H8F4O2 Molecular Weight (g/mol): 236.166 MDL Number: MFCD09025359 InChI Key: ITZBWMABBUYCQB-UHFFFAOYSA-N Synonym: 3-4-fluoro-3-trifluoromethyl-phenyl-propionic acid, 3-4-fluoro-3-trifluoromethyl phenyl propanoic acid, 3-4-fluoro-3-trifluoromethyl phenyl propionic acid PubChem CID: 46737490 IUPAC Name: 3-[4-fluoro-3-(trifluoromethyl)phenyl]propanoic acid SMILES: C1=CC(=C(C=C1CCC(=O)O)C(F)(F)F)F

CAS: 20312-36-1 Molecular Formula: C9H9O3 Molecular Weight (g/mol): 165.17 MDL Number: MFCD00004244 InChI Key: VOXXWSYKYCBWHO-QMMMGPOBSA-M Synonym: s---2-hydroxy-3-phenylpropionic acid, s-3-phenyllactic acid, 2s-2-hydroxy-3-phenylpropanoic acid, d-3-phenyllactic acid, l-3-phenyllactic acid, s---3-phenyllactic acid, l--3-phenyllactic acid, s-2-hydroxy-3-phenylpropanoic acid, s-2-hydroxy-3-phenylpropionic acid, l---3-phenyllactic acid PubChem CID: 444718 ChEBI: CHEBI:43065 IUPAC Name: (2S)-2-hydroxy-3-phenylpropanoic acid SMILES: O[C@@H](CC1=CC=CC=C1)C([O-])=O

CAS: 62935-72-2 Molecular Formula: C12H10O5 Molecular Weight (g/mol): 234.21 MDL Number: MFCD00009774 InChI Key: ZEKAXIFHLIITGV-UHFFFAOYSA-N Synonym: mca-oh, 7-methoxy-2-oxochromen-4-yl acetic acid, 7-methoxycoumarin-4-yl acetic acid, 7-methoxy-2-oxo-2h-chromen-4-yl-acetic acid, 2-7-methoxy-2-oxochromen-4-yl acetic acid, 2h-1-benzopyran-4-acetic acid, 7-methoxy-2-oxo, 7-methoxy-2-oxo-2h-1-benzopyran-4-acetic acid, 7-methoxy-2-oxo-2h-chromen-4-yl acetic acid, 2-7-methoxy-2-oxo-2h-chromen-4-yl acetic acid, 7-methoxycoumarin-4-acetic acid PubChem CID: 342221 ChEBI: CHEBI:51666 IUPAC Name: 2-(7-methoxy-2-oxochromen-4-yl)acetic acid SMILES: COC1=CC=C2C(CC(O)=O)=CC(=O)OC2=C1

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: 531-81-7 Molecular Formula: C10H6O4 Molecular Weight (g/mol): 190.154 MDL Number: MFCD00006852 InChI Key: ACMLKANOGIVEPB-UHFFFAOYSA-N Synonym: g 1 van, g 1 the rodenticide van, unii-v85uov8788, 2-oxo-2h-1-benzopyran-3-carboxylic acid, 2h-1-benzopyran-3-carboxylic acid, 2-oxo, g 1 rodenticide, 2-oxobenzopyran-3-carboxylic acid, 3-carboxycoumarin, 2-oxo-2h-chromene-3-carboxylic acid, coumarin-3-carboxylic acid PubChem CID: 10752 IUPAC Name: 2-oxochromene-3-carboxylic acid SMILES: C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)O

CAS: 530-59-6 Molecular Formula: C₁₁H₁₂O₅ Molecular Weight (g/mol): 224.21 InChI Key: PCMORTLOPMLEFB-ONEGZZNKSA-N Synonym: unii-p0i60993ec, 2e-3-4-hydroxy-3,5-dimethoxyphenyl prop-2-enoic acid, synapoic acid, 4-hydroxy-3,5-dimethoxycinnamic acid, trans-sinapic acid, sinapate, sinapinate, 3,5-dimethoxy-4-hydroxycinnamic acid, sinapinic acid, sinapic acid PubChem CID: 637775 ChEBI: CHEBI:15714 IUPAC Name: (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid SMILES: COC1=CC(=CC(=C1O)OC)C=CC(=O)O

CAS: 2596-47-6 Molecular Formula: C12H12O5 Molecular Weight (g/mol): 236.223 MDL Number: MFCD00014378 InChI Key: IHKNVZISLLDMOR-GQCTYLIASA-N Synonym: 2e-3-4-acetyloxy-3-methoxyphenyl prop-2-enoic acid, 2-propenoic acid, 3-4-acetyloxy-3-methoxyphenyl, cinnamic acid, 4-hydroxy-3-methoxy-, acetate, acetylated ferulic acid, cinnamic acid, 4-acetoxy-3-methoxy, 3-4-acetoxy-3-methoxyphenyl acrylic acid, 3-methoxy-4-acetoxycinnamic acid, 4-acetoxy-3-methoxycinnamic acid, acetylferulic acid PubChem CID: 5354677 ChEBI: CHEBI:86582 IUPAC Name: (E)-3-(4-acetyloxy-3-methoxyphenyl)prop-2-enoic acid SMILES: CC(=O)OC1=C(C=C(C=C1)C=CC(=O)O)OC