Phenylpropanoids and polyketides
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Diphenyl Isophthalate 99.0+%, TCI America™
CAS: 744-45-6 Molecular Formula: C20H14O4 Molecular Weight (g/mol): 318.328 MDL Number: MFCD00046051 InChI Key: FHESUNXRPBHDQM-UHFFFAOYSA-N Synonym: diphenyl isophthalate,diphenyl m-phthalate,diphenylisophthalate,unii-wh4w31qij8,1,3-benzenedicarboxylic acid, diphenyl ester,isophthalic acid diphenyl ester,isophthalic acid, diphenyl ester,wh4w31qij8,1,3-benzenedicarboxylic acid, 1,3-diphenyl ester,1,3-diphenyl benzene-1,3-dicarboxylate PubChem CID: 69779 IUPAC Name: diphenyl benzene-1,3-dicarboxylate SMILES: C1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)C(=O)OC3=CC=CC=C3
| PubChem CID | 69779 |
|---|---|
| CAS | 744-45-6 |
| Molecular Weight (g/mol) | 318.328 |
| MDL Number | MFCD00046051 |
| SMILES | C1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)C(=O)OC3=CC=CC=C3 |
| Synonym | diphenyl isophthalate,diphenyl m-phthalate,diphenylisophthalate,unii-wh4w31qij8,1,3-benzenedicarboxylic acid, diphenyl ester,isophthalic acid diphenyl ester,isophthalic acid, diphenyl ester,wh4w31qij8,1,3-benzenedicarboxylic acid, 1,3-diphenyl ester,1,3-diphenyl benzene-1,3-dicarboxylate |
| IUPAC Name | diphenyl benzene-1,3-dicarboxylate |
| InChI Key | FHESUNXRPBHDQM-UHFFFAOYSA-N |
| Molecular Formula | C20H14O4 |
Disodium 4,4'-Diisothiocyanato-2,2'-stilbenedisulfonate Hydrate 90.0+%, TCI America™
CAS: 67483-13-0 Molecular Formula: C16H8N2Na2O6S4 Molecular Weight (g/mol): 498.468 MDL Number: MFCD00009638 InChI Key: GEPAYBXVXXBSKP-SEPHDYHBSA-L Synonym: dids,unii-1vfrq7416a,disodium 4,4'-diisothiocyanato-2,2'-stilbenedisulfonate,4,4'-diisothiocyanato-2,2'-stilbenedisulfonic acid disodium salt,4,4'-diisothiocyano-2,2'-stilbenedisulfonic acid, disodium salt,disodium 5-isothiocyanato-2-e-2-4-isothiocyanato-2-sulfonatophenyl ethenyl benzenesulfonate,spectrum1505164,4 4'-diisothiocyanato-2 2'-stilbenedisu,disodium 4,4'-diisothiocyanatostilbene-2,2'-disulfonate,disodium 4,4'-diisothiocyanato-2,2'-stilbenedisulfonate, e PubChem CID: 5702690 IUPAC Name: disodium;5-isothiocyanato-2-[(E)-2-(4-isothiocyanato-2-sulfonatophenyl)ethenyl]benzenesulfonate SMILES: C1=CC(=C(C=C1N=C=S)S(=O)(=O)[O-])C=CC2=C(C=C(C=C2)N=C=S)S(=O)(=O)[O-].[Na+].[Na+]
| PubChem CID | 5702690 |
|---|---|
| CAS | 67483-13-0 |
| Molecular Weight (g/mol) | 498.468 |
| MDL Number | MFCD00009638 |
| SMILES | C1=CC(=C(C=C1N=C=S)S(=O)(=O)[O-])C=CC2=C(C=C(C=C2)N=C=S)S(=O)(=O)[O-].[Na+].[Na+] |
| Synonym | dids,unii-1vfrq7416a,disodium 4,4'-diisothiocyanato-2,2'-stilbenedisulfonate,4,4'-diisothiocyanato-2,2'-stilbenedisulfonic acid disodium salt,4,4'-diisothiocyano-2,2'-stilbenedisulfonic acid, disodium salt,disodium 5-isothiocyanato-2-e-2-4-isothiocyanato-2-sulfonatophenyl ethenyl benzenesulfonate,spectrum1505164,4 4'-diisothiocyanato-2 2'-stilbenedisu,disodium 4,4'-diisothiocyanatostilbene-2,2'-disulfonate,disodium 4,4'-diisothiocyanato-2,2'-stilbenedisulfonate, e |
| IUPAC Name | disodium;5-isothiocyanato-2-[(E)-2-(4-isothiocyanato-2-sulfonatophenyl)ethenyl]benzenesulfonate |
| InChI Key | GEPAYBXVXXBSKP-SEPHDYHBSA-L |
| Molecular Formula | C16H8N2Na2O6S4 |
(S)-Benzylsuccinic Acid 98.0+%, TCI America™
CAS: 3972-36-9 Molecular Formula: C11H12O4 Molecular Weight (g/mol): 208.213 MDL Number: MFCD00798341 InChI Key: GTOFKXZQQDSVFH-VIFPVBQESA-N PubChem CID: 446168 IUPAC Name: (2S)-2-benzylbutanedioic acid SMILES: C1=CC=C(C=C1)CC(CC(=O)O)C(=O)O
| PubChem CID | 446168 |
|---|---|
| CAS | 3972-36-9 |
| Molecular Weight (g/mol) | 208.213 |
| MDL Number | MFCD00798341 |
| SMILES | C1=CC=C(C=C1)CC(CC(=O)O)C(=O)O |
| IUPAC Name | (2S)-2-benzylbutanedioic acid |
| InChI Key | GTOFKXZQQDSVFH-VIFPVBQESA-N |
| Molecular Formula | C11H12O4 |
7-Methoxycoumarin-3-carboxylic Acid 98.0+%, TCI America™
CAS: 20300-59-8 Molecular Formula: C11H8O5 Molecular Weight (g/mol): 220.18 MDL Number: MFCD00452770 InChI Key: VEEGNDSSWAOLFN-UHFFFAOYSA-N PubChem CID: 583941 IUPAC Name: 7-methoxy-2-oxo-2H-chromene-3-carboxylic acid SMILES: COC1=CC=C2C=C(C(O)=O)C(=O)OC2=C1
| PubChem CID | 583941 |
|---|---|
| CAS | 20300-59-8 |
| Molecular Weight (g/mol) | 220.18 |
| MDL Number | MFCD00452770 |
| SMILES | COC1=CC=C2C=C(C(O)=O)C(=O)OC2=C1 |
| IUPAC Name | 7-methoxy-2-oxo-2H-chromene-3-carboxylic acid |
| InChI Key | VEEGNDSSWAOLFN-UHFFFAOYSA-N |
| Molecular Formula | C11H8O5 |
4-Methyl-6,7-methylenedioxycoumarin, TCI America™
CAS: 15071-04-2 Molecular Formula: C11H8O4 Molecular Weight (g/mol): 204.181 MDL Number: MFCD00143343 InChI Key: XAOGHIKJQRXPHX-UHFFFAOYSA-N Synonym: 4-Methylayapin PubChem CID: 609315 IUPAC Name: 8-methyl-[1,3]dioxolo[4,5-g]chromen-6-one SMILES: CC1=CC(=O)OC2=CC3=C(C=C12)OCO3
| PubChem CID | 609315 |
|---|---|
| CAS | 15071-04-2 |
| Molecular Weight (g/mol) | 204.181 |
| MDL Number | MFCD00143343 |
| SMILES | CC1=CC(=O)OC2=CC3=C(C=C12)OCO3 |
| Synonym | 4-Methylayapin |
| IUPAC Name | 8-methyl-[1,3]dioxolo[4,5-g]chromen-6-one |
| InChI Key | XAOGHIKJQRXPHX-UHFFFAOYSA-N |
| Molecular Formula | C11H8O4 |
4-Cyanophenyl 4-(3-Butenyloxy)benzoate 97.0+%, TCI America™
CAS: 114482-57-4 Molecular Formula: C18H15NO3 Molecular Weight (g/mol): 293.322 MDL Number: MFCD00191384 InChI Key: XGRKLNHEYFRXFW-UHFFFAOYSA-N Synonym: 4-(3-Butenyloxy)benzoic Acid 4-Cyanophenyl Ester PubChem CID: 600247 IUPAC Name: (4-cyanophenyl) 4-but-3-enoxybenzoate SMILES: C=CCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C#N
| PubChem CID | 600247 |
|---|---|
| CAS | 114482-57-4 |
| Molecular Weight (g/mol) | 293.322 |
| MDL Number | MFCD00191384 |
| SMILES | C=CCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C#N |
| Synonym | 4-(3-Butenyloxy)benzoic Acid 4-Cyanophenyl Ester |
| IUPAC Name | (4-cyanophenyl) 4-but-3-enoxybenzoate |
| InChI Key | XGRKLNHEYFRXFW-UHFFFAOYSA-N |
| Molecular Formula | C18H15NO3 |
Cetraxate Hydrochloride 98.0+%, TCI America™
CAS: 27724-96-5 Molecular Formula: C17H24ClNO4 Molecular Weight (g/mol): 341.83 MDL Number: MFCD01722166 InChI Key: USROQQUKEBHOFF-UHFFFAOYSA-N Synonym: 3-[4-[[trans-4-(Aminomethyl)cyclohexyl]carbonyloxy]phenyl]propanoic Acid Hydrochloride PubChem CID: 34001 IUPAC Name: hydrogen 3-{4-[4-(aminomethyl)cyclohexanecarbonyloxy]phenyl}propanoic acid chloride SMILES: [H+].[Cl-].NCC1CCC(CC1)C(=O)OC1=CC=C(CCC(O)=O)C=C1
| PubChem CID | 34001 |
|---|---|
| CAS | 27724-96-5 |
| Molecular Weight (g/mol) | 341.83 |
| MDL Number | MFCD01722166 |
| SMILES | [H+].[Cl-].NCC1CCC(CC1)C(=O)OC1=CC=C(CCC(O)=O)C=C1 |
| Synonym | 3-[4-[[trans-4-(Aminomethyl)cyclohexyl]carbonyloxy]phenyl]propanoic Acid Hydrochloride |
| IUPAC Name | hydrogen 3-{4-[4-(aminomethyl)cyclohexanecarbonyloxy]phenyl}propanoic acid chloride |
| InChI Key | USROQQUKEBHOFF-UHFFFAOYSA-N |
| Molecular Formula | C17H24ClNO4 |
4-Aminophenyl 4-Aminobenzoate 97.0+%, TCI America™
CAS: 20610-77-9 Molecular Formula: C13H12N2O2 Molecular Weight (g/mol): 228.25 MDL Number: MFCD16038468 InChI Key: LOCTYHIHNCOYJZ-UHFFFAOYSA-N Synonym: 4-Aminobenzoic Acid 4-Aminophenyl Ester PubChem CID: 15491725 IUPAC Name: 4-aminophenyl 4-aminobenzoate SMILES: NC1=CC=C(OC(=O)C2=CC=C(N)C=C2)C=C1
| PubChem CID | 15491725 |
|---|---|
| CAS | 20610-77-9 |
| Molecular Weight (g/mol) | 228.25 |
| MDL Number | MFCD16038468 |
| SMILES | NC1=CC=C(OC(=O)C2=CC=C(N)C=C2)C=C1 |
| Synonym | 4-Aminobenzoic Acid 4-Aminophenyl Ester |
| IUPAC Name | 4-aminophenyl 4-aminobenzoate |
| InChI Key | LOCTYHIHNCOYJZ-UHFFFAOYSA-N |
| Molecular Formula | C13H12N2O2 |
1,3-Dibenzoyloxybenzene 98.0+%, TCI America™
CAS: 94-01-9 Molecular Formula: C20H14O4 Molecular Weight (g/mol): 318.33 MDL Number: MFCD00016576 InChI Key: SUQGLJRNDJRARS-UHFFFAOYSA-N Synonym: 1,3-dibenzoyloxybenzene,resorcinol dibenzoate,1,3-benzenediol, dibenzoate,1,3-phenylene dibenzoate,m-phenylene dibenzoate,resorcinol, dibenzoate,1,3-bis benzoyloxy benzene,3-benzoyloxy phenyl benzoate,1,3-benzenediol, 1,3-dibenzoate,1,3-phenylenedibenzoate PubChem CID: 66742 IUPAC Name: 3-(benzoyloxy)phenyl benzoate SMILES: O=C(OC1=CC(OC(=O)C2=CC=CC=C2)=CC=C1)C1=CC=CC=C1
| PubChem CID | 66742 |
|---|---|
| CAS | 94-01-9 |
| Molecular Weight (g/mol) | 318.33 |
| MDL Number | MFCD00016576 |
| SMILES | O=C(OC1=CC(OC(=O)C2=CC=CC=C2)=CC=C1)C1=CC=CC=C1 |
| Synonym | 1,3-dibenzoyloxybenzene,resorcinol dibenzoate,1,3-benzenediol, dibenzoate,1,3-phenylene dibenzoate,m-phenylene dibenzoate,resorcinol, dibenzoate,1,3-bis benzoyloxy benzene,3-benzoyloxy phenyl benzoate,1,3-benzenediol, 1,3-dibenzoate,1,3-phenylenedibenzoate |
| IUPAC Name | 3-(benzoyloxy)phenyl benzoate |
| InChI Key | SUQGLJRNDJRARS-UHFFFAOYSA-N |
| Molecular Formula | C20H14O4 |
3',4',5,7-Tetrahydroxyflavone 98.0+%, TCI America™
CAS: 491-70-3 Molecular Formula: C15H10O6 Molecular Weight (g/mol): 286.239 MDL Number: MFCD00017309 InChI Key: IQPNAANSBPBGFQ-UHFFFAOYSA-N Synonym: luteolin,3',4',5,7-tetrahydroxyflavone,2-3,4-dihydroxyphenyl-5,7-dihydroxy-4h-chromen-4-one,digitoflavone,luteolol,flacitran,luteoline,weld lake,cyanidenon 1470,salifazide PubChem CID: 5280445 ChEBI: CHEBI:15864 IUPAC Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one SMILES: C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O
| PubChem CID | 5280445 |
|---|---|
| CAS | 491-70-3 |
| Molecular Weight (g/mol) | 286.239 |
| ChEBI | CHEBI:15864 |
| MDL Number | MFCD00017309 |
| SMILES | C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O |
| Synonym | luteolin,3',4',5,7-tetrahydroxyflavone,2-3,4-dihydroxyphenyl-5,7-dihydroxy-4h-chromen-4-one,digitoflavone,luteolol,flacitran,luteoline,weld lake,cyanidenon 1470,salifazide |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one |
| InChI Key | IQPNAANSBPBGFQ-UHFFFAOYSA-N |
| Molecular Formula | C15H10O6 |
trans-2,4-Dichlorocinnamic Acid 98.0+%, TCI America™
CAS: 20595-45-3 Molecular Formula: C9H6Cl2O2 Molecular Weight (g/mol): 217.045 MDL Number: MFCD00004373 InChI Key: MEBWABJHRAYGFW-DUXPYHPUSA-N Synonym: 2,4-dichlorocinnamic acid,trans-2,4-dichlorocinnamic acid,e-3-2,4-dichlorophenyl acrylic acid,cinnamic acid, 2,4-dichloro,3-2,4-dichlorophenyl-2-propenoic acid,unii-c09kk5d2t2,2-propenoic acid, 3-2,4-dichlorophenyl-, 2e,2e-3-2,4-dichlorophenyl acrylic acid,2-propenoic acid, 3-2,4-dichlorophenyl,2e-3-2,4-dichlorophenyl prop-2-enoic acid PubChem CID: 688026 IUPAC Name: (E)-3-(2,4-dichlorophenyl)prop-2-enoic acid SMILES: C1=CC(=C(C=C1Cl)Cl)C=CC(=O)O
| PubChem CID | 688026 |
|---|---|
| CAS | 20595-45-3 |
| Molecular Weight (g/mol) | 217.045 |
| MDL Number | MFCD00004373 |
| SMILES | C1=CC(=C(C=C1Cl)Cl)C=CC(=O)O |
| Synonym | 2,4-dichlorocinnamic acid,trans-2,4-dichlorocinnamic acid,e-3-2,4-dichlorophenyl acrylic acid,cinnamic acid, 2,4-dichloro,3-2,4-dichlorophenyl-2-propenoic acid,unii-c09kk5d2t2,2-propenoic acid, 3-2,4-dichlorophenyl-, 2e,2e-3-2,4-dichlorophenyl acrylic acid,2-propenoic acid, 3-2,4-dichlorophenyl,2e-3-2,4-dichlorophenyl prop-2-enoic acid |
| IUPAC Name | (E)-3-(2,4-dichlorophenyl)prop-2-enoic acid |
| InChI Key | MEBWABJHRAYGFW-DUXPYHPUSA-N |
| Molecular Formula | C9H6Cl2O2 |
7-Ethoxycoumarin 97.0+%, TCI America™
CAS: 31005-02-4 Molecular Formula: C11H10O3 Molecular Weight (g/mol): 190.198 MDL Number: MFCD00006877 InChI Key: LIFAQMGORKPVDH-UHFFFAOYSA-N Synonym: 7-ethoxycoumarin,7-ethoxy-2h-chromen-2-one,ethylumbelliferone,2h-1-benzopyran-2-one, 7-ethoxy,7-ethoxy-2h-1-benzopyran-2-one,7-ethoxycoumarine,pubchem8680,coumarin, 7-ethoxy,acmc-209hjx PubChem CID: 35703 ChEBI: CHEBI:28184 IUPAC Name: 7-ethoxychromen-2-one SMILES: CCOC1=CC2=C(C=C1)C=CC(=O)O2
| PubChem CID | 35703 |
|---|---|
| CAS | 31005-02-4 |
| Molecular Weight (g/mol) | 190.198 |
| ChEBI | CHEBI:28184 |
| MDL Number | MFCD00006877 |
| SMILES | CCOC1=CC2=C(C=C1)C=CC(=O)O2 |
| Synonym | 7-ethoxycoumarin,7-ethoxy-2h-chromen-2-one,ethylumbelliferone,2h-1-benzopyran-2-one, 7-ethoxy,7-ethoxy-2h-1-benzopyran-2-one,7-ethoxycoumarine,pubchem8680,coumarin, 7-ethoxy,acmc-209hjx |
| IUPAC Name | 7-ethoxychromen-2-one |
| InChI Key | LIFAQMGORKPVDH-UHFFFAOYSA-N |
| Molecular Formula | C11H10O3 |
2-Chlorocinnamic Acid 98.0+%, TCI America™
CAS: 3752-25-8 Molecular Formula: C9H7ClO2 Molecular Weight (g/mol): 182.603 MDL Number: MFCD00004372 InChI Key: KJRRTHHNKJBVBO-AATRIKPKSA-N Synonym: 2-chlorocinnamic acid,o-chlorocinnamic acid,3-2-chlorophenyl acrylic acid,2e-3-2-chlorophenyl acrylic acid,e-3-2-chlorophenyl acrylic acid,cinnamic acid, o-chloro,2e-3-2-chlorophenyl prop-2-enoic acid,2-propenoic acid, 3-2-chlorophenyl,e-o-chlorocinnamic acid,3-2-chlorophenyl-2-propenoic acid PubChem CID: 700642 IUPAC Name: (E)-3-(2-chlorophenyl)prop-2-enoic acid SMILES: C1=CC=C(C(=C1)C=CC(=O)O)Cl
| PubChem CID | 700642 |
|---|---|
| CAS | 3752-25-8 |
| Molecular Weight (g/mol) | 182.603 |
| MDL Number | MFCD00004372 |
| SMILES | C1=CC=C(C(=C1)C=CC(=O)O)Cl |
| Synonym | 2-chlorocinnamic acid,o-chlorocinnamic acid,3-2-chlorophenyl acrylic acid,2e-3-2-chlorophenyl acrylic acid,e-3-2-chlorophenyl acrylic acid,cinnamic acid, o-chloro,2e-3-2-chlorophenyl prop-2-enoic acid,2-propenoic acid, 3-2-chlorophenyl,e-o-chlorocinnamic acid,3-2-chlorophenyl-2-propenoic acid |
| IUPAC Name | (E)-3-(2-chlorophenyl)prop-2-enoic acid |
| InChI Key | KJRRTHHNKJBVBO-AATRIKPKSA-N |
| Molecular Formula | C9H7ClO2 |
DL-2-Phenylpropionic Acid 98.0+%, TCI America™
CAS: 492-37-5 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.177 MDL Number: MFCD00002650 InChI Key: YPGCWEMNNLXISK-UHFFFAOYSA-N Synonym: 2-phenylpropionic acid,hydratropic acid,dl-2-phenylpropionic acid,alpha-methylphenylacetic acid,2-phenyl-propionic acid,+/--2-phenylpropionic acid,alpha-methylbenzeneacetic acid,benzeneacetic acid, .alpha.-methyl,hydratropasaeure,alpha-phenylpropionic acid PubChem CID: 10296 ChEBI: CHEBI:48526 IUPAC Name: 2-phenylpropanoic acid SMILES: CC(C1=CC=CC=C1)C(=O)O
| PubChem CID | 10296 |
|---|---|
| CAS | 492-37-5 |
| Molecular Weight (g/mol) | 150.177 |
| ChEBI | CHEBI:48526 |
| MDL Number | MFCD00002650 |
| SMILES | CC(C1=CC=CC=C1)C(=O)O |
| Synonym | 2-phenylpropionic acid,hydratropic acid,dl-2-phenylpropionic acid,alpha-methylphenylacetic acid,2-phenyl-propionic acid,+/--2-phenylpropionic acid,alpha-methylbenzeneacetic acid,benzeneacetic acid, .alpha.-methyl,hydratropasaeure,alpha-phenylpropionic acid |
| IUPAC Name | 2-phenylpropanoic acid |
| InChI Key | YPGCWEMNNLXISK-UHFFFAOYSA-N |
| Molecular Formula | C9H10O2 |
3,5-Dimethoxy-4-hydroxycinnamic Acid 98.0+%, TCI America™
CAS: 530-59-6 Molecular Formula: C11H12O5 Molecular Weight (g/mol): 224.212 MDL Number: MFCD00004401 InChI Key: PCMORTLOPMLEFB-ONEGZZNKSA-N Synonym: sinapic acid,sinapinic acid,3,5-dimethoxy-4-hydroxycinnamic acid,sinapinate,sinapate,trans-sinapic acid,4-hydroxy-3,5-dimethoxycinnamic acid,synapoic acid,2e-3-4-hydroxy-3,5-dimethoxyphenyl prop-2-enoic acid,unii-p0i60993ec 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
| PubChem CID | 637775 |
|---|---|
| CAS | 530-59-6 |
| Molecular Weight (g/mol) | 224.212 |
| ChEBI | CHEBI:15714 |
| MDL Number | MFCD00004401 |
| SMILES | COC1=CC(=CC(=C1O)OC)C=CC(=O)O |
| Synonym | sinapic acid,sinapinic acid,3,5-dimethoxy-4-hydroxycinnamic acid,sinapinate,sinapate,trans-sinapic acid,4-hydroxy-3,5-dimethoxycinnamic acid,synapoic acid,2e-3-4-hydroxy-3,5-dimethoxyphenyl prop-2-enoic acid,unii-p0i60993ec |
| IUPAC Name | (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid |
| InChI Key | PCMORTLOPMLEFB-ONEGZZNKSA-N |
| Molecular Formula | C11H12O5 |