Phenylpropanoids and polyketides
Filtered Search Results
6-Chloro-4-hydroxycoumarin 97.0+%, TCI America™
CAS: 19484-57-2 Molecular Formula: C9H5ClO3 Molecular Weight (g/mol): 196.59 MDL Number: MFCD00239399 InChI Key: UJHIADILZZWIED-UHFFFAOYSA-N Synonym: 6-chloro-4-hydroxycoumarin,6-chloro-4-hydroxy-2h-chromen-2-one,4-hydroxy-6-chlorocoumarin,6-chloro-4-hydroxy-2h-1-benzopyran-2-one,2h-1-benzopyran-2-one,6-chloro-4-hydroxy,6-chloro-2-hydroxychromen-4-one,6-chloro-2-hydroxy-4h-chromen-4-one,pubchem24343,acmc-1bsui,6-chlor-4-oxy-cumarin PubChem CID: 54686348 IUPAC Name: 6-chloro-2-hydroxy-4H-chromen-4-one SMILES: OC1=CC(=O)C2=CC(Cl)=CC=C2O1
| PubChem CID | 54686348 |
|---|---|
| CAS | 19484-57-2 |
| Molecular Weight (g/mol) | 196.59 |
| MDL Number | MFCD00239399 |
| SMILES | OC1=CC(=O)C2=CC(Cl)=CC=C2O1 |
| Synonym | 6-chloro-4-hydroxycoumarin,6-chloro-4-hydroxy-2h-chromen-2-one,4-hydroxy-6-chlorocoumarin,6-chloro-4-hydroxy-2h-1-benzopyran-2-one,2h-1-benzopyran-2-one,6-chloro-4-hydroxy,6-chloro-2-hydroxychromen-4-one,6-chloro-2-hydroxy-4h-chromen-4-one,pubchem24343,acmc-1bsui,6-chlor-4-oxy-cumarin |
| IUPAC Name | 6-chloro-2-hydroxy-4H-chromen-4-one |
| InChI Key | UJHIADILZZWIED-UHFFFAOYSA-N |
| Molecular Formula | C9H5ClO3 |
Tris(dibenzoylmethanato) Iron 97.0+%, TCI America™
CAS: 14405-49-3 Molecular Formula: C45H33FeO6 Molecular Weight (g/mol): 725.60 MDL Number: MFCD00192557,MFCD14636458 InChI Key: JWPHPBLJVLHKOZ-UHFFFAOYSA-K Synonym: tris dibenzoylmethanato iron,iron iii diphenylpropanedionate PubChem CID: 57369570 IUPAC Name: iron(3+) tris(3-oxo-1,3-diphenylprop-1-en-1-olate) SMILES: [Fe+3].[O-]C(=CC(=O)C1=CC=CC=C1)C1=CC=CC=C1.[O-]C(=CC(=O)C1=CC=CC=C1)C1=CC=CC=C1.[O-]C(=CC(=O)C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 57369570 |
|---|---|
| CAS | 14405-49-3 |
| Molecular Weight (g/mol) | 725.60 |
| MDL Number | MFCD00192557,MFCD14636458 |
| SMILES | [Fe+3].[O-]C(=CC(=O)C1=CC=CC=C1)C1=CC=CC=C1.[O-]C(=CC(=O)C1=CC=CC=C1)C1=CC=CC=C1.[O-]C(=CC(=O)C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | tris dibenzoylmethanato iron,iron iii diphenylpropanedionate |
| IUPAC Name | iron(3+) tris(3-oxo-1,3-diphenylprop-1-en-1-olate) |
| InChI Key | JWPHPBLJVLHKOZ-UHFFFAOYSA-K |
| Molecular Formula | C45H33FeO6 |
7-Diethylamino-4-methylcoumarin 98.0+%, TCI America™
CAS: 91-44-1 Molecular Formula: C14H17NO2 Molecular Weight (g/mol): 231.295 MDL Number: MFCD00006864 InChI Key: AFYCEAFSNDLKSX-UHFFFAOYSA-N Synonym: 7-diethylamino-4-methylcoumarin,coumarin 1,7-diethylamino-4-methyl-2h-chromen-2-one,coumarin 47,coumarin 460,4-methyl-7-diethylamino coumarin,blancophor aw,blancophor ffg,4-methyl-7-diethylaminocoumarin,hakkol p PubChem CID: 7050 ChEBI: CHEBI:51938 IUPAC Name: 7-(diethylamino)-4-methylchromen-2-one SMILES: CCN(CC)C1=CC2=C(C=C1)C(=CC(=O)O2)C
| PubChem CID | 7050 |
|---|---|
| CAS | 91-44-1 |
| Molecular Weight (g/mol) | 231.295 |
| ChEBI | CHEBI:51938 |
| MDL Number | MFCD00006864 |
| SMILES | CCN(CC)C1=CC2=C(C=C1)C(=CC(=O)O2)C |
| Synonym | 7-diethylamino-4-methylcoumarin,coumarin 1,7-diethylamino-4-methyl-2h-chromen-2-one,coumarin 47,coumarin 460,4-methyl-7-diethylamino coumarin,blancophor aw,blancophor ffg,4-methyl-7-diethylaminocoumarin,hakkol p |
| IUPAC Name | 7-(diethylamino)-4-methylchromen-2-one |
| InChI Key | AFYCEAFSNDLKSX-UHFFFAOYSA-N |
| Molecular Formula | C14H17NO2 |
trans-2,5-Dichlorocinnamic Acid 96.0+%, TCI America™
CAS: 20595-47-5 Molecular Formula: C9H6Cl2O2 Molecular Weight (g/mol): 217.045 MDL Number: MFCD03002786 InChI Key: LYYBVUOVYNSRSE-DAFODLJHSA-N Synonym: trans-3-(2,5-Dichlorophenyl)-2-propenoic Acid PubChem CID: 7014934 IUPAC Name: (E)-3-(2,5-dichlorophenyl)prop-2-enoic acid SMILES: C1=CC(=C(C=C1Cl)C=CC(=O)O)Cl
| PubChem CID | 7014934 |
|---|---|
| CAS | 20595-47-5 |
| Molecular Weight (g/mol) | 217.045 |
| MDL Number | MFCD03002786 |
| SMILES | C1=CC(=C(C=C1Cl)C=CC(=O)O)Cl |
| Synonym | trans-3-(2,5-Dichlorophenyl)-2-propenoic Acid |
| IUPAC Name | (E)-3-(2,5-dichlorophenyl)prop-2-enoic acid |
| InChI Key | LYYBVUOVYNSRSE-DAFODLJHSA-N |
| Molecular Formula | C9H6Cl2O2 |
5-Methylumbelliferone 95.0+%, TCI America™
CAS: 7249-26-5 Molecular Formula: C10H8O3 Molecular Weight (g/mol): 176.171 MDL Number: MFCD00488356 InChI Key: QNDMQTVAGWUUDS-UHFFFAOYSA-N Synonym: 7-Hydroxy-5-methylcoumarin PubChem CID: 5355639 IUPAC Name: 7-hydroxy-5-methylchromen-2-one SMILES: CC1=CC(=CC2=C1C=CC(=O)O2)O
| PubChem CID | 5355639 |
|---|---|
| CAS | 7249-26-5 |
| Molecular Weight (g/mol) | 176.171 |
| MDL Number | MFCD00488356 |
| SMILES | CC1=CC(=CC2=C1C=CC(=O)O2)O |
| Synonym | 7-Hydroxy-5-methylcoumarin |
| IUPAC Name | 7-hydroxy-5-methylchromen-2-one |
| InChI Key | QNDMQTVAGWUUDS-UHFFFAOYSA-N |
| Molecular Formula | C10H8O3 |
Esculetin 98.0+%, TCI America™
CAS: 305-01-1 Molecular Formula: C9H6O4 Molecular Weight (g/mol): 178.143 MDL Number: MFCD00006874 InChI Key: ILEDWLMCKZNDJK-UHFFFAOYSA-N Synonym: esculetin,6,7-dihydroxycoumarin,aesculetin,cichorigenin,6,7-dihydroxy-2h-chromen-2-one,cichoriin aglucon,esculatin,esculetol,esculin aglucon,esculin aglycon PubChem CID: 5281416 ChEBI: CHEBI:490095 IUPAC Name: 6,7-dihydroxychromen-2-one SMILES: C1=CC(=O)OC2=CC(=C(C=C21)O)O
| PubChem CID | 5281416 |
|---|---|
| CAS | 305-01-1 |
| Molecular Weight (g/mol) | 178.143 |
| ChEBI | CHEBI:490095 |
| MDL Number | MFCD00006874 |
| SMILES | C1=CC(=O)OC2=CC(=C(C=C21)O)O |
| Synonym | esculetin,6,7-dihydroxycoumarin,aesculetin,cichorigenin,6,7-dihydroxy-2h-chromen-2-one,cichoriin aglucon,esculatin,esculetol,esculin aglucon,esculin aglycon |
| IUPAC Name | 6,7-dihydroxychromen-2-one |
| InChI Key | ILEDWLMCKZNDJK-UHFFFAOYSA-N |
| Molecular Formula | C9H6O4 |
1,3-Diphenyl-2-propanone 97.0+%, TCI America™
CAS: 102-04-5 Molecular Formula: C15H14O Molecular Weight (g/mol): 210.28 MDL Number: MFCD00004795 InChI Key: YFKBXYGUSOXJGS-UHFFFAOYSA-N Synonym: 1,3-diphenylacetone,dibenzyl ketone,1,3-diphenyl-2-propanone,benzyl ketone,2-propanone, 1,3-diphenyl,1,3-diphenylpropanone,alpha,alpha'-diphenylacetone,1,3-diphenyl-propan-2-one,unii-9y07g5udkq,fema no. 2397 PubChem CID: 7593 IUPAC Name: 1,3-diphenylpropan-2-one SMILES: O=C(CC1=CC=CC=C1)CC1=CC=CC=C1
| PubChem CID | 7593 |
|---|---|
| CAS | 102-04-5 |
| Molecular Weight (g/mol) | 210.28 |
| MDL Number | MFCD00004795 |
| SMILES | O=C(CC1=CC=CC=C1)CC1=CC=CC=C1 |
| Synonym | 1,3-diphenylacetone,dibenzyl ketone,1,3-diphenyl-2-propanone,benzyl ketone,2-propanone, 1,3-diphenyl,1,3-diphenylpropanone,alpha,alpha'-diphenylacetone,1,3-diphenyl-propan-2-one,unii-9y07g5udkq,fema no. 2397 |
| IUPAC Name | 1,3-diphenylpropan-2-one |
| InChI Key | YFKBXYGUSOXJGS-UHFFFAOYSA-N |
| Molecular Formula | C15H14O |
3-(3,4-Dihydroxyphenyl)-2-methyl-L-alanine Sesquihydrate 98.0+%, TCI America™
CAS: 555-30-6 Molecular Formula: C10H13NO4 Molecular Weight (g/mol): 211.217 MDL Number: MFCD00004186 InChI Key: CJCSPKMFHVPWAR-JTQLQIEISA-N Synonym: methyldopa,alphamethyldopa,aldomet,alpha medopa,dopamet,l-alpha-methyldopa,alpha-methyl dopa,baypresol,hyperpax,presolisin PubChem CID: 38853 ChEBI: CHEBI:61058 IUPAC Name: (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid SMILES: CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)N
| PubChem CID | 38853 |
|---|---|
| CAS | 555-30-6 |
| Molecular Weight (g/mol) | 211.217 |
| ChEBI | CHEBI:61058 |
| MDL Number | MFCD00004186 |
| SMILES | CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)N |
| Synonym | methyldopa,alphamethyldopa,aldomet,alpha medopa,dopamet,l-alpha-methyldopa,alpha-methyl dopa,baypresol,hyperpax,presolisin |
| IUPAC Name | (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid |
| InChI Key | CJCSPKMFHVPWAR-JTQLQIEISA-N |
| Molecular Formula | C10H13NO4 |
4-Chloro-3-nitrocoumarin 96.0+%, TCI America™
CAS: 38464-20-9 Molecular Formula: C9H4ClNO4 Molecular Weight (g/mol): 225.584 MDL Number: MFCD00051670 InChI Key: OFLRQEKOAGDHKT-UHFFFAOYSA-N Synonym: 4-chloro-3-nitrocoumarin,4-chloro-3-nitro-2h-chromen-2-one,4-chloro-3-nitro-chromen-2-one,3-nitro-4-chlorocoumarin,pubchem8672,acmc-1ahgg,4-chloranyl-3-nitro-chromen-2-one,4-chloro-3-nitro-1-benzopyran-2-one,2h-1-benzopyran-2-one,4-chloro-3-nitro PubChem CID: 688979 IUPAC Name: 4-chloro-3-nitrochromen-2-one SMILES: C1=CC=C2C(=C1)C(=C(C(=O)O2)[N+](=O)[O-])Cl
| PubChem CID | 688979 |
|---|---|
| CAS | 38464-20-9 |
| Molecular Weight (g/mol) | 225.584 |
| MDL Number | MFCD00051670 |
| SMILES | C1=CC=C2C(=C1)C(=C(C(=O)O2)[N+](=O)[O-])Cl |
| Synonym | 4-chloro-3-nitrocoumarin,4-chloro-3-nitro-2h-chromen-2-one,4-chloro-3-nitro-chromen-2-one,3-nitro-4-chlorocoumarin,pubchem8672,acmc-1ahgg,4-chloranyl-3-nitro-chromen-2-one,4-chloro-3-nitro-1-benzopyran-2-one,2h-1-benzopyran-2-one,4-chloro-3-nitro |
| IUPAC Name | 4-chloro-3-nitrochromen-2-one |
| InChI Key | OFLRQEKOAGDHKT-UHFFFAOYSA-N |
| Molecular Formula | C9H4ClNO4 |
DL-4-Hydroxyphenyllactic Acid 98.0+%, TCI America™
CAS: 306-23-0 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.18 MDL Number: MFCD00010514 InChI Key: JVGVDSSUAVXRDY-UHFFFAOYNA-N Synonym: 2-Hydroxy-3-(4-hydroxyphenyl)propionic Acid PubChem CID: 9378 ChEBI: CHEBI:17385 IUPAC Name: 2-hydroxy-3-(4-hydroxyphenyl)propanoic acid SMILES: OC(CC1=CC=C(O)C=C1)C(O)=O
| PubChem CID | 9378 |
|---|---|
| CAS | 306-23-0 |
| Molecular Weight (g/mol) | 182.18 |
| ChEBI | CHEBI:17385 |
| MDL Number | MFCD00010514 |
| SMILES | OC(CC1=CC=C(O)C=C1)C(O)=O |
| Synonym | 2-Hydroxy-3-(4-hydroxyphenyl)propionic Acid |
| IUPAC Name | 2-hydroxy-3-(4-hydroxyphenyl)propanoic acid |
| InChI Key | JVGVDSSUAVXRDY-UHFFFAOYNA-N |
| Molecular Formula | C9H10O4 |
N-Succinimidyl 7-Hydroxycoumarin-3-carboxylate 96.0+%, TCI America™
CAS: 134471-24-2 Molecular Formula: C14H9NO7 Molecular Weight (g/mol): 303.226 MDL Number: MFCD00037568 InChI Key: KFEBWCYYRFZMTJ-UHFFFAOYSA-N Synonym: 7-Hydroxycoumarin-3-carboxylic Acid N-Succinimidyl Ester, N-Succinimidyl Umbelliferone-3-carboxylate, Umbelliferone-3-carboxylic Acid N-Succinimidyl Ester PubChem CID: 5706554 IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 7-hydroxy-2-oxochromene-3-carboxylate SMILES: C1CC(=O)N(C1=O)OC(=O)C2=CC3=C(C=C(C=C3)O)OC2=O
| PubChem CID | 5706554 |
|---|---|
| CAS | 134471-24-2 |
| Molecular Weight (g/mol) | 303.226 |
| MDL Number | MFCD00037568 |
| SMILES | C1CC(=O)N(C1=O)OC(=O)C2=CC3=C(C=C(C=C3)O)OC2=O |
| Synonym | 7-Hydroxycoumarin-3-carboxylic Acid N-Succinimidyl Ester, N-Succinimidyl Umbelliferone-3-carboxylate, Umbelliferone-3-carboxylic Acid N-Succinimidyl Ester |
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) 7-hydroxy-2-oxochromene-3-carboxylate |
| InChI Key | KFEBWCYYRFZMTJ-UHFFFAOYSA-N |
| Molecular Formula | C14H9NO7 |
7-Hydroxycoumarin-3-carboxylic Acid 98.0+%, TCI America™
CAS: 779-27-1 Molecular Formula: C10H6O5 Molecular Weight (g/mol): 206.15 MDL Number: MFCD00017491 InChI Key: LKLWLDOUZJEHDY-UHFFFAOYSA-N Synonym: Umbelliferone-3-carboxylic Acid PubChem CID: 5337757 IUPAC Name: 7-hydroxy-2-oxo-2H-chromene-3-carboxylic acid SMILES: OC(=O)C1=CC2=CC=C(O)C=C2OC1=O
| PubChem CID | 5337757 |
|---|---|
| CAS | 779-27-1 |
| Molecular Weight (g/mol) | 206.15 |
| MDL Number | MFCD00017491 |
| SMILES | OC(=O)C1=CC2=CC=C(O)C=C2OC1=O |
| Synonym | Umbelliferone-3-carboxylic Acid |
| IUPAC Name | 7-hydroxy-2-oxo-2H-chromene-3-carboxylic acid |
| InChI Key | LKLWLDOUZJEHDY-UHFFFAOYSA-N |
| Molecular Formula | C10H6O5 |
(S)-2-Octyl 4-[4-(Hexyloxy)benzoyloxy]benzoate 98.0+%, TCI America™
CAS: 87321-20-8 Molecular Formula: C28H38O5 Molecular Weight (g/mol): 454.607 MDL Number: MFCD01941070 InChI Key: PLGPDUBTEHIWRH-QFIPXVFZSA-N Synonym: 4-[4-(Hexyloxy)benzoyloxy]benzoic Acid (S)-2-Octyl Ester PubChem CID: 22845344 IUPAC Name: [4-[(2S)-octan-2-yl]oxycarbonylphenyl] 4-hexoxybenzoate SMILES: CCCCCCC(C)OC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OCCCCCC
| PubChem CID | 22845344 |
|---|---|
| CAS | 87321-20-8 |
| Molecular Weight (g/mol) | 454.607 |
| MDL Number | MFCD01941070 |
| SMILES | CCCCCCC(C)OC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OCCCCCC |
| Synonym | 4-[4-(Hexyloxy)benzoyloxy]benzoic Acid (S)-2-Octyl Ester |
| IUPAC Name | [4-[(2S)-octan-2-yl]oxycarbonylphenyl] 4-hexoxybenzoate |
| InChI Key | PLGPDUBTEHIWRH-QFIPXVFZSA-N |
| Molecular Formula | C28H38O5 |
p-Tolyl Salicylate, TCI America™
CAS: 607-88-5 Molecular Formula: C14H12O3 Molecular Weight (g/mol): 228.247 MDL Number: MFCD00059616 InChI Key: AMYKXJAXRJCLCV-UHFFFAOYSA-N Synonym: p-Cresyl Salicylate, 4-Methylphenyl Salicylate, Salicylic Acid 4-Methylphenyl Ester, Salicylic Acid p-Tolyl Ester PubChem CID: 69091 IUPAC Name: (4-methylphenyl) 2-hydroxybenzoate SMILES: CC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O
| PubChem CID | 69091 |
|---|---|
| CAS | 607-88-5 |
| Molecular Weight (g/mol) | 228.247 |
| MDL Number | MFCD00059616 |
| SMILES | CC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O |
| Synonym | p-Cresyl Salicylate, 4-Methylphenyl Salicylate, Salicylic Acid 4-Methylphenyl Ester, Salicylic Acid p-Tolyl Ester |
| IUPAC Name | (4-methylphenyl) 2-hydroxybenzoate |
| InChI Key | AMYKXJAXRJCLCV-UHFFFAOYSA-N |
| Molecular Formula | C14H12O3 |
Osthole 98.0+%, TCI America™
CAS: 484-12-8 Molecular Formula: C15H16O3 Molecular Weight (g/mol): 244.29 MDL Number: MFCD00076049 InChI Key: MBRLOUHOWLUMFF-UHFFFAOYSA-N Synonym: 7-Methoxy-8-(3-methyl-2-butenyl)coumarin PubChem CID: 10228 ChEBI: CHEBI:69832 IUPAC Name: 7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one SMILES: CC(=CCC1=C(C=CC2=C1OC(=O)C=C2)OC)C
| PubChem CID | 10228 |
|---|---|
| CAS | 484-12-8 |
| Molecular Weight (g/mol) | 244.29 |
| ChEBI | CHEBI:69832 |
| MDL Number | MFCD00076049 |
| SMILES | CC(=CCC1=C(C=CC2=C1OC(=O)C=C2)OC)C |
| Synonym | 7-Methoxy-8-(3-methyl-2-butenyl)coumarin |
| IUPAC Name | 7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one |
| InChI Key | MBRLOUHOWLUMFF-UHFFFAOYSA-N |
| Molecular Formula | C15H16O3 |