CAS: 8002-74-2 Molecular Formula: C21H27NO3 Molecular Weight (g/mol): 341.451 MDL Number: MFCD00212755 InChI Key: JWHAUXFOSRPERK-UHFFFAOYSA-N Synonym: gnf-pf-4594, propafenona, propafenona inn-spanish, propafenone, propafenone inn, propafenone inn:ban, propafenone-hcl, propafenonum, propafenonum inn-latin, rythmol PubChem CID: 4932 ChEBI: CHEBI:63619 IUPAC Name: 1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenylpropan-1-one SMILES: CCCNCC(COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O

CAS: 26078-25-1 Molecular Formula: C13H15NO2 Molecular Weight (g/mol): 217.268 MDL Number: MFCD00006860 InChI Key: QZXAEJGHNXJTSE-UHFFFAOYSA-N Synonym: 4, 6-Dimethyl-7-ethylaminocoumarin PubChem CID: 96929 IUPAC Name: 7-(ethylamino)-4,6-dimethylchromen-2-one SMILES: CCNC1=C(C=C2C(=CC(=O)OC2=C1)C)C

CAS: 8012-95-1 Molecular Formula: C15H11ClO7 Molecular Weight (g/mol): 338.696 InChI Key: FFNDMZIBVDSQFI-UHFFFAOYSA-N Synonym: 3,5,7-trihydroxy-2-3,4,5-trihydroxyphenyl benzopyrylium chloride, ccris 2518, delfinidol chloride, delphinidin, delphinidin chloride, delphinidine, delphinidol, em6md4aehe, ephdine, unii-em6md4aehe PubChem CID: 68245 ChEBI: CHEBI:38701 IUPAC Name: 2-(3,4,5-trihydroxyphenyl)chromenylium-3,5,7-triol;chloride SMILES: C1=C(C=C(C(=C1O)O)O)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)O.[Cl-]

CAS: 15687-27-1 Molecular Formula: C13H18O2 Molecular Weight (g/mol): 206.285 MDL Number: MFCD00010393 InChI Key: HEFNNWSXXWATRW-UHFFFAOYSA-N Synonym: 2-4-isobutylphenyl propanoic acid, advil, anflagen, brufen, dolgit, ibuprofen, liptan, motrin, nuprin, nurofen 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: 8012-95-1 Molecular Formula: C15H11ClO7 Molecular Weight (g/mol): 338.696 InChI Key: FFNDMZIBVDSQFI-UHFFFAOYSA-N Synonym: 3,5,7-trihydroxy-2-3,4,5-trihydroxyphenyl benzopyrylium chloride, ccris 2518, delfinidol chloride, delphinidin, delphinidin chloride, delphinidine, delphinidol, em6md4aehe, ephdine, unii-em6md4aehe PubChem CID: 68245 ChEBI: CHEBI:38701 IUPAC Name: 2-(3,4,5-trihydroxyphenyl)chromenylium-3,5,7-triol;chloride SMILES: C1=C(C=C(C(=C1O)O)O)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)O.[Cl-]

CAS: 529-44-2 Molecular Formula: C15H10O8 Molecular Weight (g/mol): 318.237 MDL Number: MFCD00006827 InChI Key: IKMDFBPHZNJCSN-UHFFFAOYSA-N Synonym: 3,3',4',5,5',7-hexahydroxyflavone, 3,5,7,3',4',5'-hexahydroxyflavone, 3,5,7-trihydroxy-2-3,4,5-trihydroxyphenyl-4h-1-benzopyran-4-one, 3,5,7-trihydroxy-2-3,4,5-trihydroxyphenyl-4h-chromen-4-one, cannabiscetin, ccris 5838, myricetin, myricetol, myricitin, unii-76xc01ftoj PubChem CID: 5281672 ChEBI: CHEBI:18152 IUPAC Name: 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one SMILES: C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O

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: 13614-98-7 Molecular Formula: C23H28ClN3O7 Molecular Weight (g/mol): 493.941 MDL Number: MFCD00083669 InChI Key: WTJXVDPDEQKTCV-VQAITOIOSA-N Synonym: arestin, minocin, minocycline chloride, minocycline hcl, minocycline hydrochloride, minomax, minomycin, periocline, tri-mino, vectrin PubChem CID: 54685925 IUPAC Name: (4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;hydrochloride SMILES: CN(C)C1C2CC3CC4=C(C=CC(=C4C(=C3C(=O)C2(C(=C(C1=O)C(=O)N)O)O)O)O)N(C)C.Cl

CAS: 140-10-3 Molecular Formula: C9H8O2 Molecular Weight (g/mol): 148.161 MDL Number: MFCD00004369 InChI Key: WBYWAXJHAXSJNI-VOTSOKGWSA-N Synonym: 2e-3-phenylprop-2-enoic acid, 3-phenylacrylic acid, 3-phenylprop-2-enoic acid, 3-phenylpropenoic acid, cinnamic acid, e-cinnamic acid, trans-3-phenylacrylic acid, trans-cinnamic acid, zimtsaeure PubChem CID: 444539 ChEBI: CHEBI:35697 IUPAC Name: (E)-3-phenylprop-2-enoic acid SMILES: C1=CC=C(C=C1)C=CC(=O)O

CAS: 458-37-7 Molecular Formula: C₂₁H₂₀O₆ Molecular Weight (g/mol): 368.38 InChI Key: VFLDPWHFBUODDF-FCXRPNKRSA-N Synonym: curcuma, curcumin, curcumin i, diferuloylmethane, gelbwurz, halad, kacha haldi, natural yellow 3, turmeric, turmeric yellow 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=C(C=CC(=C1)C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)O)OC)O

CAS: 28166-41-8 Molecular Formula: C10H7NO3 Molecular Weight (g/mol): 189.17 MDL Number: MFCD00004204 InChI Key: AFVLVVWMAFSXCK-YVMONPNESA-N Synonym: 2-cyano-3-4-hydroxyphe-nyl acrylic acid, 2-cyano-4-hydroxycinnamate, 2z-2-cyano-3-4-hydroxyphenyl prop-2-enoic acid, alpha-cyano-4-hydroxycinnamate PubChem CID: 9794103 IUPAC Name: (Z)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoic acid SMILES: C1=CC(=CC=C1C=C(C#N)C(=O)O)O

CAS: 15687-27-1 Molecular Formula: C13H18O2 Molecular Weight (g/mol): 206.285 MDL Number: MFCD00010393 InChI Key: HEFNNWSXXWATRW-UHFFFAOYSA-N Synonym: 2-4-isobutylphenyl propanoic acid, advil, anflagen, brufen, dolgit, ibuprofen, liptan, motrin, nuprin, nurofen 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: 6203-18-5 Molecular Formula: C11H13NO Molecular Weight (g/mol): 175.231 MDL Number: MFCD00007002 InChI Key: RUKJCCIJLIMGEP-ONEGZZNKSA-N Synonym: 3-4-dimethylamino phenyl acrylaldehyde, 4-dimethylamino cinnamaldehyde, 4-dimethylaminocinnamaldehyde, 4-dimethylcinnamaldehyde, cinnamaldehyde, p-dimethylamino, dmaca reagent, p-dimethylamino cinnamaldehyde, p-dimethylaminocinnamaldehyde, p-dimethylaminocinnamic aldehyde, unii-9rsi7wz9f0 PubChem CID: 5284506 IUPAC Name: (E)-3-[4-(dimethylamino)phenyl]prop-2-enal SMILES: CN(C)C1=CC=C(C=C1)C=CC=O

CAS: 8002-74-2 Molecular Formula: CnH₂n+₂ Molecular Weight (g/mol): 341.451 MDL Number: MFCD00132833 InChI Key: JWHAUXFOSRPERK-UHFFFAOYSA-N Synonym: gnf-pf-4594, propafenona, propafenona inn-spanish, propafenone, propafenone inn, propafenone inn:ban, propafenone-hcl, propafenonum, propafenonum inn-latin, rythmol PubChem CID: 4932 ChEBI: CHEBI:63619 IUPAC Name: 1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenylpropan-1-one SMILES: CCCNCC(COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O

CAS: 8012-95-1 Molecular Formula: C15H11ClO7 Molecular Weight (g/mol): 338.696 MDL Number: MFCD00131611 InChI Key: FFNDMZIBVDSQFI-UHFFFAOYSA-N Synonym: 3,5,7-trihydroxy-2-3,4,5-trihydroxyphenyl benzopyrylium chloride, ccris 2518, delfinidol chloride, delphinidin, delphinidin chloride, delphinidine, delphinidol, em6md4aehe, ephdine, unii-em6md4aehe PubChem CID: 68245 ChEBI: CHEBI:38701 IUPAC Name: 2-(3,4,5-trihydroxyphenyl)chromenylium-3,5,7-triol;chloride SMILES: C1=C(C=C(C(=C1O)O)O)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)O.[Cl-]

CAS: 6203-18-5 Molecular Formula: C₁₁H₁₃NO Molecular Weight (g/mol): 175.23 MDL Number: MFCD00007002 InChI Key: RUKJCCIJLIMGEP-ONEGZZNKSA-N Synonym: 3-4-dimethylamino phenyl acrylaldehyde, 4-dimethylamino cinnamaldehyde, 4-dimethylaminocinnamaldehyde, 4-dimethylcinnamaldehyde, cinnamaldehyde, p-dimethylamino, dmaca reagent, p-dimethylamino cinnamaldehyde, p-dimethylaminocinnamaldehyde, p-dimethylaminocinnamic aldehyde, unii-9rsi7wz9f0 PubChem CID: 5284506 IUPAC Name: (E)-3-[4-(dimethylamino)phenyl]prop-2-enal SMILES: CN(C)C1=CC=C(C=C1)C=CC=O

CAS: 654055-01-3 Molecular Formula: C₁₅H₁₀O₇·xH₂O Molecular Weight (g/mol): 302.24 MDL Number: MFCD00217054 InChI Key: MYUBTSPIIFYCIU-UHFFFAOYSA-N Synonym: 2 inverted exclamation marka,3,4 inverted exclamation marka,5,7-pentahydroxyflavone, 2-2,4-dihydroxyphenyl-3,5,7-trihydroxy-4h-chromen-4-one hydrate, 2-2,4-dihydroxyphenyl-3,5,7-trihydroxy-chromen-4-one hydrate, bois d,arc hydrate, morin flavonol, morin hydrate, morin hydrate aurantica, morin hydrate, powder, morinhydrate PubChem CID: 16219651 IUPAC Name: 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;hydrate SMILES: C1=CC(=C(C=C1O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O.O

CAS: 60-54-8 Molecular Formula: C22H24N2O8 Molecular Weight (g/mol): 444.44 MDL Number: MFCD00151232 InChI Key: NWXMGUDVXFXRIG-WESIUVDSSA-N PubChem CID: 54675776 IUPAC Name: (4S,4aS,5aS,6S,12aR)-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide SMILES: CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O

CAS: 59721-29-8 Molecular Formula: C21H26N4O8S Molecular Weight (g/mol): 494.519 MDL Number: MFCD00941410 InChI Key: FSEKIHNIDBATFG-UHFFFAOYSA-N Synonym: camostat mesilate, camostat mesylate, camostat methanesulfonate, camostat monomethanesulfonate, dsstox_cid_238, dsstox_gsid_20238, dsstox_rid_75452, foipan, unii-451m50a1eq PubChem CID: 5284360 IUPAC Name: [4-[2-[2-(dimethylamino)-2-oxoethoxy]-2-oxoethyl]phenyl] 4-(diaminomethylideneamino)benzoate;methanesulfonic acid SMILES: CN(C)C(=O)COC(=O)CC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N.CS(=O)(=O)O

CAS: 119-53-9 Molecular Formula: C14H12O2 Molecular Weight (g/mol): 212.248 MDL Number: MFCD00004496 InChI Key: ISAOCJYIOMOJEB-UHFFFAOYSA-N Synonym: +--benzoin, 2-hydroxy-1,2-diphenylethan-1-one, 2-hydroxy-2-phenylacetophenone, alpha-hydroxybenzyl phenyl ketone, benzoin, benzoin tincture, benzoylphenylcarbinol, bitter almond oil camphor, ethanone, 2-hydroxy-1,2-diphenyl, phenylbenzoyl carbinol PubChem CID: 8400 ChEBI: CHEBI:17682 IUPAC Name: 2-hydroxy-1,2-diphenylethanone SMILES: C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)O

CAS: 486-62-4 Molecular Formula: C22H22O9 Molecular Weight (g/mol): 430.409 MDL Number: MFCD00017464 InChI Key: MGJLSBDCWOSMHL-MIUGBVLSSA-N Synonym: Formononetin 7-O-beta-D-glucopyranoside PubChem CID: 442813 ChEBI: CHEBI:7775 IUPAC Name: 3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one SMILES: COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OC4C(C(C(C(O4)CO)O)O)O

CAS: 72559-06-9 Molecular Formula: C₄₆H₆₂N₄O₁₁ Molecular Weight (g/mol): 847 InChI Key: ATEBXHFBFRCZMA-WBGWULMVSA-N Synonym: alfacid, ansamycin, ansatipin, ansatipine, antibiotic lm 427, mycobutin, rifabutin, rifabutina, rifabutine, rifabutinum PubChem CID: 57448257 SMILES: CC1C=CC=C(C(=O)NC2=C3C(=NC4(N3)CCN(CC4)CC(C)C)C5=C6C(=C(C(=C5C2=O)O)C)OC(C6=O)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C

CAS: 153-18-4 Molecular Formula: C₂₇H₃₀O₁₆·₃H₂O Molecular Weight (g/mol): 664.58 MDL Number: MFCD00006830 InChI Key: IKGXIBQEEMLURG-NVPNHPEKSA-N Synonym: 3-rutinosyl quercetin, bioflavonoid, birutan, eldrin, myrticolorin, phytomelin, quercetin 3-rutinoside, rutin, rutoside, venoruton 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: 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

CAS: 53123-88-9 Molecular Formula: C51H79NO13 Molecular Weight (g/mol): 914.187 InChI Key: QFJCIRLUMZQUOT-HPLJOQBZSA-N 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: 25316-40-9 Molecular Formula: C27H30ClNO11 Molecular Weight (g/mol): 579.983 InChI Key: MWWSFMDVAYGXBV-BXPPNZEESA-N Synonym: adriacin, adriamycin, adriamycin hydrochloride, adriamycin pfs, adriblastin, adriblastina, doxorubicin hcl, doxorubicin hydrochloride, rubex PubChem CID: 129626538 IUPAC Name: (7R,9R)-7-[(2S,4R,5R,6R)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride SMILES: CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)CO)O)N)O.Cl

CAS: 6515-37-3 Molecular Formula: C15H12O3 Molecular Weight (g/mol): 240.258 MDL Number: MFCD00017705 InChI Key: ZLHVIYHWWQYJID-UHFFFAOYSA-N Synonym: 2,3-dihydro-2-4-hydroxyphenyl-4h-1-benzopyran-4-one, 2-4-hydroxyphenyl chroman-4-one, 2-4-hydroxyphenyl-2,3-dihydro-4h-chromen-4-one, 4'-hydroxy flavanone, 4'-hydroxyflavanone, 4'-hydroxyflavaone, 4-hydroxyflavanone, 4h-1-benzopyran-4-one, 2,3-dihydro-2-4-hydroxyphenyl, chembl73933, flavanone, 4'-hydroxy PubChem CID: 165506 ChEBI: CHEBI:34361 IUPAC Name: 2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one SMILES: C1C(OC2=CC=CC=C2C1=O)C3=CC=C(C=C3)O

CAS: 53518-15-3 Molecular Formula: C10H6F3NO2 Molecular Weight (g/mol): 229.158 MDL Number: MFCD00006858 InChI Key: JBNOVHJXQSHGRL-UHFFFAOYSA-N Synonym: 2h-1-benzopyran-2-one, 7-amino-4-trifluoromethyl, 7-amino-4-trifluoromethyl chromen-2-one, 7-amino-4-trifluoromethyl coumarin, 7-amino-4-trifluoromethyl-2-benzopyrone, 7-amino-4-trifluoromethyl-2h-chromen-2-one, 7-amino-4-trifluoromethyl-chromen-2-one, 7-amino-4-trifluoromethylcoumarin, coumarin 151, maybridge1_007017, pubchem8665 PubChem CID: 100641 ChEBI: CHEBI:51772 IUPAC Name: 7-amino-4-(trifluoromethyl)chromen-2-one SMILES: C1=CC2=C(C=C1N)OC(=O)C=C2C(F)(F)F

CAS: 128-69-8 Molecular Formula: C24H8O6 Molecular Weight (g/mol): 392.322 MDL Number: MFCD00006916 InChI Key: CLYVDMAATCIVBF-UHFFFAOYSA-N Synonym: 3,4,9,10-perylenetetracarboxylic dianhydride, 3,4:9,10-perylenetetracarboxylic anhydride, anthra 2,1,9-def:6,5,10-d'e'f' diisochromene-1,3,8,10-tetraone, perylene-3,4,9,10-tetracarboxylic dianhydride, perylenetetracarboxylic acid dianhydride, perylenetetracarboxylic anhydride, perylo 3,4-cd:9,10-c'd' dipyran-1,3,8,10-tetrone, pigment red 224, ptcda PubChem CID: 67191 SMILES: C1=CC2=C3C(=CC=C4C3=C1C5=C6C4=CC=C7C6=C(C=C5)C(=O)OC7=O)C(=O)OC2=O

CAS: 25316-40-9 Molecular Formula: C27H30ClNO11 Molecular Weight (g/mol): 579.983 MDL Number: MFCD00077757 InChI Key: MWWSFMDVAYGXBV-BXPPNZEESA-N Synonym: adriacin, adriamycin, adriamycin hydrochloride, adriamycin pfs, adriblastin, adriblastina, doxorubicin hcl, doxorubicin hydrochloride, rubex PubChem CID: 129626538 IUPAC Name: (7R,9R)-7-[(2S,4R,5R,6R)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride SMILES: CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)CO)O)N)O.Cl

CAS: 28166-41-8 Molecular Formula: C10H7NO3 Molecular Weight (g/mol): 189.17 InChI Key: AFVLVVWMAFSXCK-YVMONPNESA-N Synonym: 2-cyano-3-4-hydroxyphe-nyl acrylic acid, 2-cyano-4-hydroxycinnamate, 2z-2-cyano-3-4-hydroxyphenyl prop-2-enoic acid, alpha-cyano-4-hydroxycinnamate PubChem CID: 9794103 IUPAC Name: (Z)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoic acid SMILES: C1=CC(=CC=C1C=C(C#N)C(=O)O)O