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 SMILES: COC1=CC(\C=C\C(\O)=C\C(=O)\C=C\C2=CC=C(O)C(OC)=C2)=CC=C1O

CAS: 53123-88-9 Molecular Formula: C51H79NO13 Molecular Weight (g/mol): 914.187 MDL Number: MFCD00867594 InChI Key: QFJCIRLUMZQUOT-HPLJOQBZSA-N Synonym: Sirolimus; AY-22989 PubChem CID: 5284616 ChEBI: CHEBI:9168 SMILES: CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)O)C)C)O)OC)C)C)C)OC

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 SMILES: O=C1OC2=CC=CC=C2C=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: 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: 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 Molecular Weight (g/mol): 610.52 MDL Number: MFCD01319140 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(O)=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O

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: 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: 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: 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: 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: 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: 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: 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: 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: 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