Phenylpropanoids and polyketides
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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 |
Benzoin Isobutyl Ether 94.0+%, TCI America™
CAS: 22499-12-3 Molecular Formula: C18H20O2 Molecular Weight (g/mol): 268.356 MDL Number: MFCD00008933 InChI Key: JMVZGKVGQDHWOI-UHFFFAOYSA-N Synonym: 2-Isobutoxy-2-phenylacetophenone PubChem CID: 90794 IUPAC Name: 2-(2-methylpropoxy)-1,2-diphenylethanone SMILES: CC(C)COC(C1=CC=CC=C1)C(=O)C2=CC=CC=C2
| PubChem CID | 90794 |
|---|---|
| CAS | 22499-12-3 |
| Molecular Weight (g/mol) | 268.356 |
| MDL Number | MFCD00008933 |
| SMILES | CC(C)COC(C1=CC=CC=C1)C(=O)C2=CC=CC=C2 |
| Synonym | 2-Isobutoxy-2-phenylacetophenone |
| IUPAC Name | 2-(2-methylpropoxy)-1,2-diphenylethanone |
| InChI Key | JMVZGKVGQDHWOI-UHFFFAOYSA-N |
| Molecular Formula | C18H20O2 |
Piceid 95.0+%, TCI America™
CAS: 27208-80-6 Molecular Formula: C20H22O8 Molecular Weight (g/mol): 390.388 MDL Number: MFCD00210592 InChI Key: HSTZMXCBWJGKHG-CUYWLFDKSA-N PubChem CID: 5281718 ChEBI: CHEBI:8198 IUPAC Name: (2S,3R,4S,5S,6R)-2-[3-hydroxy-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol SMILES: C1=CC(=CC=C1C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O
| PubChem CID | 5281718 |
|---|---|
| CAS | 27208-80-6 |
| Molecular Weight (g/mol) | 390.388 |
| ChEBI | CHEBI:8198 |
| MDL Number | MFCD00210592 |
| SMILES | C1=CC(=CC=C1C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O |
| IUPAC Name | (2S,3R,4S,5S,6R)-2-[3-hydroxy-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| InChI Key | HSTZMXCBWJGKHG-CUYWLFDKSA-N |
| Molecular Formula | C20H22O8 |
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 |
4-Biphenyl Benzoate 98.0+%, TCI America™
CAS: 2170-13-0 Molecular Formula: C19H14O2 Molecular Weight (g/mol): 274.319 MDL Number: MFCD00223541 InChI Key: CINHWMYRCOGYIX-UHFFFAOYSA-N Synonym: Benzoic Acid 4-Biphenyl Ester PubChem CID: 231743 IUPAC Name: (4-phenylphenyl) benzoate SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3
| PubChem CID | 231743 |
|---|---|
| CAS | 2170-13-0 |
| Molecular Weight (g/mol) | 274.319 |
| MDL Number | MFCD00223541 |
| SMILES | C1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3 |
| Synonym | Benzoic Acid 4-Biphenyl Ester |
| IUPAC Name | (4-phenylphenyl) benzoate |
| InChI Key | CINHWMYRCOGYIX-UHFFFAOYSA-N |
| Molecular Formula | C19H14O2 |
4-Ethoxyphenyl 4-Butylbenzoate 99.0+%, TCI America™
CAS: 62716-65-8 Molecular Formula: C19H22O3 Molecular Weight (g/mol): 298.382 MDL Number: MFCD00059426 InChI Key: DDDWTNWRNNRWNQ-UHFFFAOYSA-N Synonym: 4-Butylbenzoic Acid 4-Ethoxyphenyl Ester PubChem CID: 595107 IUPAC Name: (4-ethoxyphenyl) 4-butylbenzoate SMILES: CCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)OCC
| PubChem CID | 595107 |
|---|---|
| CAS | 62716-65-8 |
| Molecular Weight (g/mol) | 298.382 |
| MDL Number | MFCD00059426 |
| SMILES | CCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)OCC |
| Synonym | 4-Butylbenzoic Acid 4-Ethoxyphenyl Ester |
| IUPAC Name | (4-ethoxyphenyl) 4-butylbenzoate |
| InChI Key | DDDWTNWRNNRWNQ-UHFFFAOYSA-N |
| Molecular Formula | C19H22O3 |
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 |
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 |
4-tert-Butylphenyl Salicylate 98.0+%, TCI America™
CAS: 87-18-3 Molecular Formula: C17H18O3 Molecular Weight (g/mol): 270.328 MDL Number: MFCD00045759 InChI Key: DBOSBRHMHBENLP-UHFFFAOYSA-N Synonym: Salicylic Acid 4-tert-Butylphenyl Ester PubChem CID: 66597 IUPAC Name: (4-tert-butylphenyl) 2-hydroxybenzoate SMILES: CC(C)(C)C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O
| PubChem CID | 66597 |
|---|---|
| CAS | 87-18-3 |
| Molecular Weight (g/mol) | 270.328 |
| MDL Number | MFCD00045759 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O |
| Synonym | Salicylic Acid 4-tert-Butylphenyl Ester |
| IUPAC Name | (4-tert-butylphenyl) 2-hydroxybenzoate |
| InChI Key | DBOSBRHMHBENLP-UHFFFAOYSA-N |
| Molecular Formula | C17H18O3 |
4-Cyanophenyl 4-Heptylbenzoate 98.0+%, TCI America™
CAS: 38690-76-5 Molecular Formula: C21H23NO2 Molecular Weight (g/mol): 321.42 MDL Number: MFCD00001817 InChI Key: ZWAUTNYPKHVAEZ-UHFFFAOYSA-N Synonym: 4-Heptylbenzoic Acid 4-Cyanophenyl Ester PubChem CID: 170097 IUPAC Name: (4-cyanophenyl) 4-heptylbenzoate SMILES: CCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C#N
| PubChem CID | 170097 |
|---|---|
| CAS | 38690-76-5 |
| Molecular Weight (g/mol) | 321.42 |
| MDL Number | MFCD00001817 |
| SMILES | CCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C#N |
| Synonym | 4-Heptylbenzoic Acid 4-Cyanophenyl Ester |
| IUPAC Name | (4-cyanophenyl) 4-heptylbenzoate |
| InChI Key | ZWAUTNYPKHVAEZ-UHFFFAOYSA-N |
| Molecular Formula | C21H23NO2 |
4-n-Octyloxyphenyl 4-Butylbenzoate 98.0+%, TCI America™
CAS: 42815-59-8 Molecular Formula: C25H34O3 Molecular Weight (g/mol): 382.544 MDL Number: MFCD00060084 InChI Key: DESAJRHSCPKXHK-UHFFFAOYSA-N Synonym: 4-Butylbenzoic Acid 4-n-Octyloxyphenyl Ester PubChem CID: 19013731 IUPAC Name: (4-octoxyphenyl) 4-butylbenzoate SMILES: CCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)CCCC
| PubChem CID | 19013731 |
|---|---|
| CAS | 42815-59-8 |
| Molecular Weight (g/mol) | 382.544 |
| MDL Number | MFCD00060084 |
| SMILES | CCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)CCCC |
| Synonym | 4-Butylbenzoic Acid 4-n-Octyloxyphenyl Ester |
| IUPAC Name | (4-octoxyphenyl) 4-butylbenzoate |
| InChI Key | DESAJRHSCPKXHK-UHFFFAOYSA-N |
| Molecular Formula | C25H34O3 |
2,3-Dibromo-3-phenylpropionic Acid 98.0+%, TCI America™
CAS: 6286-30-2 Molecular Formula: C9H8Br2O2 Molecular Weight (g/mol): 307.97 MDL Number: MFCD00004208 InChI Key: FXJWTHBNVZNQQP-UHFFFAOYNA-N Synonym: alpha,beta-Dibromohydrocinnamic Acid PubChem CID: 22705 IUPAC Name: 2,3-dibromo-3-phenylpropanoic acid SMILES: OC(=O)C(Br)C(Br)C1=CC=CC=C1
| PubChem CID | 22705 |
|---|---|
| CAS | 6286-30-2 |
| Molecular Weight (g/mol) | 307.97 |
| MDL Number | MFCD00004208 |
| SMILES | OC(=O)C(Br)C(Br)C1=CC=CC=C1 |
| Synonym | alpha,beta-Dibromohydrocinnamic Acid |
| IUPAC Name | 2,3-dibromo-3-phenylpropanoic acid |
| InChI Key | FXJWTHBNVZNQQP-UHFFFAOYNA-N |
| Molecular Formula | C9H8Br2O2 |
2,2-Dibromo-1,3-diphenyl-1,3-propanedione 98.0+%, TCI America™
CAS: 16619-55-9 Molecular Formula: C15H10Br2O2 Molecular Weight (g/mol): 382.05 MDL Number: MFCD00068642 InChI Key: GSWSUDFFJVJMLG-UHFFFAOYSA-N Synonym: Dibenzoyldibromomethane PubChem CID: 12356677 IUPAC Name: 2,2-dibromo-1,3-diphenylpropane-1,3-dione SMILES: BrC(Br)(C(=O)C1=CC=CC=C1)C(=O)C1=CC=CC=C1
| PubChem CID | 12356677 |
|---|---|
| CAS | 16619-55-9 |
| Molecular Weight (g/mol) | 382.05 |
| MDL Number | MFCD00068642 |
| SMILES | BrC(Br)(C(=O)C1=CC=CC=C1)C(=O)C1=CC=CC=C1 |
| Synonym | Dibenzoyldibromomethane |
| IUPAC Name | 2,2-dibromo-1,3-diphenylpropane-1,3-dione |
| InChI Key | GSWSUDFFJVJMLG-UHFFFAOYSA-N |
| Molecular Formula | C15H10Br2O2 |
Xanthohumol 97.0+%, TCI America™
CAS: 6754-58-1 Molecular Formula: C21H22O5 Molecular Weight (g/mol): 354.402 MDL Number: MFCD00210576 InChI Key: ORXQGKIUCDPEAJ-YRNVUSSQSA-N Synonym: xanthohumol,1-2,4-dihydroxy-6-methoxy-3-3-methylbut-2-en-1-yl phenyl-3-4-hydroxyphenyl prop-2-en-1-one,unii-t4467yt1nt,2',4,4'-trihydroxy-6'-methoxy-3'-prenylchalcone,1-2,4-dihydroxy-6-methoxy-3-3-methyl-2-butenyl phenyl-3-4-hydroxyphenyl-2-propen-1-one,2e-1-2,4-dihydroxy-6-methoxy-3-3-methylbut-2-en-1-yl phenyl-3-4-hydroxyphenyl prop-2-en-1-one,e-1-2,4-dihydroxy-6-methoxy-3-3-methyl-2-butenyl phenyl-3-4-hydroxyphenyl propenone,e-1-2,4-dihydroxy-6-methoxy-3-3-methylbut-2-enyl phenyl-3-4-hydroxyphenyl prop-2-en-1-one,xanthohumol from hop humulus lupulus,2',4,4'-trihydroxy-3'-prenyl-6'-methoxychalcone PubChem CID: 639665 ChEBI: CHEBI:66331 IUPAC Name: (E)-1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one SMILES: CC(=CCC1=C(C=C(C(=C1O)C(=O)C=CC2=CC=C(C=C2)O)OC)O)C
| PubChem CID | 639665 |
|---|---|
| CAS | 6754-58-1 |
| Molecular Weight (g/mol) | 354.402 |
| ChEBI | CHEBI:66331 |
| MDL Number | MFCD00210576 |
| SMILES | CC(=CCC1=C(C=C(C(=C1O)C(=O)C=CC2=CC=C(C=C2)O)OC)O)C |
| Synonym | xanthohumol,1-2,4-dihydroxy-6-methoxy-3-3-methylbut-2-en-1-yl phenyl-3-4-hydroxyphenyl prop-2-en-1-one,unii-t4467yt1nt,2',4,4'-trihydroxy-6'-methoxy-3'-prenylchalcone,1-2,4-dihydroxy-6-methoxy-3-3-methyl-2-butenyl phenyl-3-4-hydroxyphenyl-2-propen-1-one,2e-1-2,4-dihydroxy-6-methoxy-3-3-methylbut-2-en-1-yl phenyl-3-4-hydroxyphenyl prop-2-en-1-one,e-1-2,4-dihydroxy-6-methoxy-3-3-methyl-2-butenyl phenyl-3-4-hydroxyphenyl propenone,e-1-2,4-dihydroxy-6-methoxy-3-3-methylbut-2-enyl phenyl-3-4-hydroxyphenyl prop-2-en-1-one,xanthohumol from hop humulus lupulus,2',4,4'-trihydroxy-3'-prenyl-6'-methoxychalcone |
| IUPAC Name | (E)-1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one |
| InChI Key | ORXQGKIUCDPEAJ-YRNVUSSQSA-N |
| Molecular Formula | C21H22O5 |
2'-Hydroxychalcone 98.0+%, TCI America™
CAS: 1214-47-7 Molecular Formula: C15H12O2 Molecular Weight (g/mol): 224.259 MDL Number: MFCD00016441 InChI Key: AETKQQBRKSELEL-ZHACJKMWSA-N Synonym: 2'-hydroxychalcone,o-hydroxychalcone,e-2'-hydroxychalcone,1-2-hydroxyphenyl-3-phenylprop-2-en-1-one,chalcone, 2'-hydroxy,ccris 7796,1-2-hydroxyphenyl-3-phenyl-2-propen-1-one,unii-vy06dz94oc,acrylophenone, 2'-hydroxy-3-phenyl,2-propen-1-one, 1-2-hydroxyphenyl-3-phenyl PubChem CID: 638276 ChEBI: CHEBI:27916 IUPAC Name: (E)-1-(2-hydroxyphenyl)-3-phenylprop-2-en-1-one SMILES: C1=CC=C(C=C1)C=CC(=O)C2=CC=CC=C2O
| PubChem CID | 638276 |
|---|---|
| CAS | 1214-47-7 |
| Molecular Weight (g/mol) | 224.259 |
| ChEBI | CHEBI:27916 |
| MDL Number | MFCD00016441 |
| SMILES | C1=CC=C(C=C1)C=CC(=O)C2=CC=CC=C2O |
| Synonym | 2'-hydroxychalcone,o-hydroxychalcone,e-2'-hydroxychalcone,1-2-hydroxyphenyl-3-phenylprop-2-en-1-one,chalcone, 2'-hydroxy,ccris 7796,1-2-hydroxyphenyl-3-phenyl-2-propen-1-one,unii-vy06dz94oc,acrylophenone, 2'-hydroxy-3-phenyl,2-propen-1-one, 1-2-hydroxyphenyl-3-phenyl |
| IUPAC Name | (E)-1-(2-hydroxyphenyl)-3-phenylprop-2-en-1-one |
| InChI Key | AETKQQBRKSELEL-ZHACJKMWSA-N |
| Molecular Formula | C15H12O2 |