Phenylpropanoids and polyketides
Filtered Search Results
Loxoprofen 97.0+%, TCI America™
CAS: 68767-14-6 Molecular Formula: C15H18O3 Molecular Weight (g/mol): 246.31 MDL Number: MFCD00864331 InChI Key: YMBXTVYHTMGZDW-UHFFFAOYNA-N Synonym: 2-[4-[(2-Oxocyclopentyl)methyl]phenyl]propionic Acid PubChem CID: 3965 ChEBI: CHEBI:76172 IUPAC Name: 2-{4-[(2-oxocyclopentyl)methyl]phenyl}propanoic acid SMILES: CC(C(O)=O)C1=CC=C(CC2CCCC2=O)C=C1
| PubChem CID | 3965 |
|---|---|
| CAS | 68767-14-6 |
| Molecular Weight (g/mol) | 246.31 |
| ChEBI | CHEBI:76172 |
| MDL Number | MFCD00864331 |
| SMILES | CC(C(O)=O)C1=CC=C(CC2CCCC2=O)C=C1 |
| Synonym | 2-[4-[(2-Oxocyclopentyl)methyl]phenyl]propionic Acid |
| IUPAC Name | 2-{4-[(2-oxocyclopentyl)methyl]phenyl}propanoic acid |
| InChI Key | YMBXTVYHTMGZDW-UHFFFAOYNA-N |
| Molecular Formula | C15H18O3 |
4-Propoxycinnamic Acid 97.0+%, TCI America™
CAS: 69033-81-4 Molecular Formula: C12H14O3 Molecular Weight (g/mol): 206.241 InChI Key: WTYNDSOJMSGRQV-YVMONPNESA-N Synonym: 3-(4-Propoxyphenyl)acrylic Acid PubChem CID: 7316300 IUPAC Name: (Z)-3-(4-propoxyphenyl)prop-2-enoic acid SMILES: CCCOC1=CC=C(C=C1)C=CC(=O)O
| PubChem CID | 7316300 |
|---|---|
| CAS | 69033-81-4 |
| Molecular Weight (g/mol) | 206.241 |
| SMILES | CCCOC1=CC=C(C=C1)C=CC(=O)O |
| Synonym | 3-(4-Propoxyphenyl)acrylic Acid |
| IUPAC Name | (Z)-3-(4-propoxyphenyl)prop-2-enoic acid |
| InChI Key | WTYNDSOJMSGRQV-YVMONPNESA-N |
| Molecular Formula | C12H14O3 |
Montelukast Sodium Hydrate 98.0+%, TCI America™
CAS: 151767-02-1 Molecular Formula: C35H35ClNNaO3S Molecular Weight (g/mol): 608.17 MDL Number: MFCD00931431 InChI Key: LBFBRXGCXUHRJY-HKHDRNBDSA-M Synonym: montelukast sodium,singulair,montair,unii-u1o3j18sfl,montelukast sodium usan,montelukast na,montelukast sodium salt,u1o3j18sfl,singulair tn PubChem CID: 23663996 ChEBI: CHEBI:6993 IUPAC Name: sodium 2-[1-({[(1R)-1-{3-[(1E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanyl}methyl)cyclopropyl]acetate SMILES: [Na+].CC(C)(O)C1=CC=CC=C1CC[C@@H](SCC1(CC([O-])=O)CC1)C1=CC=CC(\C=C\C2=CC=C3C=CC(Cl)=CC3=N2)=C1
| PubChem CID | 23663996 |
|---|---|
| CAS | 151767-02-1 |
| Molecular Weight (g/mol) | 608.17 |
| ChEBI | CHEBI:6993 |
| MDL Number | MFCD00931431 |
| SMILES | [Na+].CC(C)(O)C1=CC=CC=C1CC[C@@H](SCC1(CC([O-])=O)CC1)C1=CC=CC(\C=C\C2=CC=C3C=CC(Cl)=CC3=N2)=C1 |
| Synonym | montelukast sodium,singulair,montair,unii-u1o3j18sfl,montelukast sodium usan,montelukast na,montelukast sodium salt,u1o3j18sfl,singulair tn |
| IUPAC Name | sodium 2-[1-({[(1R)-1-{3-[(1E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanyl}methyl)cyclopropyl]acetate |
| InChI Key | LBFBRXGCXUHRJY-HKHDRNBDSA-M |
| Molecular Formula | C35H35ClNNaO3S |
trans-3,5-Difluorocinnamic Acid 98.0+%, TCI America™
CAS: 147700-58-1 Molecular Formula: C9H6F2O2 Molecular Weight (g/mol): 184.142 MDL Number: MFCD00010321 InChI Key: MBAWRXICVNIUGY-OWOJBTEDSA-N Synonym: 3,5-difluorocinnamic acid,trans-3,5-difluorocinnamic acid,3,5-difluorocinnamicacid,e-3-3,5-difluorophenyl acrylic acid,3-3,5-difluorophenyl acrylic acid,2e-3-3,5-difluorophenyl prop-2-enoic acid,2e-3-3,5-difluorophenyl acrylic acid,rarechem bk hw 0255,timtec-bb sbb006675,3-3,5-difluorophenyl propenoic acid PubChem CID: 5374941 IUPAC Name: (E)-3-(3,5-difluorophenyl)prop-2-enoic acid SMILES: C1=C(C=C(C=C1F)F)C=CC(=O)O
| PubChem CID | 5374941 |
|---|---|
| CAS | 147700-58-1 |
| Molecular Weight (g/mol) | 184.142 |
| MDL Number | MFCD00010321 |
| SMILES | C1=C(C=C(C=C1F)F)C=CC(=O)O |
| Synonym | 3,5-difluorocinnamic acid,trans-3,5-difluorocinnamic acid,3,5-difluorocinnamicacid,e-3-3,5-difluorophenyl acrylic acid,3-3,5-difluorophenyl acrylic acid,2e-3-3,5-difluorophenyl prop-2-enoic acid,2e-3-3,5-difluorophenyl acrylic acid,rarechem bk hw 0255,timtec-bb sbb006675,3-3,5-difluorophenyl propenoic acid |
| IUPAC Name | (E)-3-(3,5-difluorophenyl)prop-2-enoic acid |
| InChI Key | MBAWRXICVNIUGY-OWOJBTEDSA-N |
| Molecular Formula | C9H6F2O2 |
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 |
(-)-Epigallocatechin 98.0+%, TCI America™
CAS: 970-74-1 Molecular Formula: C15H14O7 Molecular Weight (g/mol): 306.27 MDL Number: MFCD00075939 InChI Key: XMOCLSLCDHWDHP-IUODEOHRSA-N Synonym: --epigallocatechin,epigallocatechin,epigallocatechol,l-epigallocatechin,epi-gallocatechin,antiscurvy factor c2,--epigallocatechol,l-epigallocatechol,--3,3',4',5,5',7-flavanhexol,3,3',4',5,5',7-flavanhexol PubChem CID: 72277 ChEBI: CHEBI:42255 IUPAC Name: (2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol SMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O
| PubChem CID | 72277 |
|---|---|
| CAS | 970-74-1 |
| Molecular Weight (g/mol) | 306.27 |
| ChEBI | CHEBI:42255 |
| MDL Number | MFCD00075939 |
| SMILES | C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O |
| Synonym | --epigallocatechin,epigallocatechin,epigallocatechol,l-epigallocatechin,epi-gallocatechin,antiscurvy factor c2,--epigallocatechol,l-epigallocatechol,--3,3',4',5,5',7-flavanhexol,3,3',4',5,5',7-flavanhexol |
| IUPAC Name | (2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol |
| InChI Key | XMOCLSLCDHWDHP-IUODEOHRSA-N |
| Molecular Formula | C15H14O7 |
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 |
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 |
2-Hydroxycinnamaldehyde 98.0+%, TCI America™
CAS: 3541-42-2 Molecular Formula: C9H8O2 Molecular Weight (g/mol): 148.161 MDL Number: MFCD01736614 InChI Key: BSDNZCQPDVTDET-HWKANZROSA-N Synonym: 3-(2-Hydroxyphenyl)-2-propenal, 3-(2-Hydroxyphenyl)acrylaldehyde PubChem CID: 5318169 IUPAC Name: (E)-3-(2-hydroxyphenyl)prop-2-enal SMILES: C1=CC=C(C(=C1)C=CC=O)O
| PubChem CID | 5318169 |
|---|---|
| CAS | 3541-42-2 |
| Molecular Weight (g/mol) | 148.161 |
| MDL Number | MFCD01736614 |
| SMILES | C1=CC=C(C(=C1)C=CC=O)O |
| Synonym | 3-(2-Hydroxyphenyl)-2-propenal, 3-(2-Hydroxyphenyl)acrylaldehyde |
| IUPAC Name | (E)-3-(2-hydroxyphenyl)prop-2-enal |
| InChI Key | BSDNZCQPDVTDET-HWKANZROSA-N |
| Molecular Formula | C9H8O2 |
4-Hydroxychalcone 97.0+%, TCI America™
CAS: 20426-12-4 Molecular Formula: C15H12O2 Molecular Weight (g/mol): 224.26 MDL Number: MFCD00016488 InChI Key: PWWCDTYUYPOAIU-DHZHZOJOSA-N Synonym: 4-hydroxychalcone,4-hydroxy chalcone,2e-3-4-hydroxyphenyl-1-phenylprop-2-en-1-one,unii-jo97q47vbu,jo97q47vbu,3-4-hydroxyphenyl-1-phenylprop-2-en-1-one,e-3-4-hydroxyphenyl-1-phenyl-prop-2-en-1-one,3-4-hydroxyphenyl-1-phenyl-2-propen-1-one,e-3-4-hydroxyphenyl-1-phenylprop-2-en-1-one,ccris 2228 PubChem CID: 5282361 ChEBI: CHEBI:34423 IUPAC Name: (2E)-3-(4-hydroxyphenyl)-1-phenylprop-2-en-1-one SMILES: OC1=CC=C(\C=C\C(=O)C2=CC=CC=C2)C=C1
| PubChem CID | 5282361 |
|---|---|
| CAS | 20426-12-4 |
| Molecular Weight (g/mol) | 224.26 |
| ChEBI | CHEBI:34423 |
| MDL Number | MFCD00016488 |
| SMILES | OC1=CC=C(\C=C\C(=O)C2=CC=CC=C2)C=C1 |
| Synonym | 4-hydroxychalcone,4-hydroxy chalcone,2e-3-4-hydroxyphenyl-1-phenylprop-2-en-1-one,unii-jo97q47vbu,jo97q47vbu,3-4-hydroxyphenyl-1-phenylprop-2-en-1-one,e-3-4-hydroxyphenyl-1-phenyl-prop-2-en-1-one,3-4-hydroxyphenyl-1-phenyl-2-propen-1-one,e-3-4-hydroxyphenyl-1-phenylprop-2-en-1-one,ccris 2228 |
| IUPAC Name | (2E)-3-(4-hydroxyphenyl)-1-phenylprop-2-en-1-one |
| InChI Key | PWWCDTYUYPOAIU-DHZHZOJOSA-N |
| Molecular Formula | C15H12O2 |
4-(4-Hydroxyphenyl)-3-buten-2-one 98.0+%, TCI America™
CAS: 3160-35-8 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.19 MDL Number: MFCD00016490 InChI Key: OCNIKEFATSKIBE-NSCUHMNNSA-N Synonym: p-hydroxybenzalacetone,4-hydroxybenzylideneacetone,4-hydroxybenzal acetone,4-hydroxycinnamoylmethane,4-hydroxybenzalacetone,p-hydroxybenzylidene acetone,4-p-hydroxyphenyl-3-buten-2-one,4-4-hydroxyphenyl but-3-en-2-one,3-buten-2-one, 4-4-hydroxyphenyl,3-buten-2-one, 4-p-hydroxyphenyl PubChem CID: 796857 IUPAC Name: (3E)-4-(4-hydroxyphenyl)but-3-en-2-one SMILES: CC(=O)\C=C\C1=CC=C(O)C=C1
| PubChem CID | 796857 |
|---|---|
| CAS | 3160-35-8 |
| Molecular Weight (g/mol) | 162.19 |
| MDL Number | MFCD00016490 |
| SMILES | CC(=O)\C=C\C1=CC=C(O)C=C1 |
| Synonym | p-hydroxybenzalacetone,4-hydroxybenzylideneacetone,4-hydroxybenzal acetone,4-hydroxycinnamoylmethane,4-hydroxybenzalacetone,p-hydroxybenzylidene acetone,4-p-hydroxyphenyl-3-buten-2-one,4-4-hydroxyphenyl but-3-en-2-one,3-buten-2-one, 4-4-hydroxyphenyl,3-buten-2-one, 4-p-hydroxyphenyl |
| IUPAC Name | (3E)-4-(4-hydroxyphenyl)but-3-en-2-one |
| InChI Key | OCNIKEFATSKIBE-NSCUHMNNSA-N |
| Molecular Formula | C10H10O2 |
2'-Hydroxy-3-phenylpropiophenone 98.0+%, TCI America™
CAS: 3516-95-8 Molecular Formula: C15H14O2 Molecular Weight (g/mol): 226.275 MDL Number: MFCD00002221 InChI Key: JCPGMXJLFWGRMZ-UHFFFAOYSA-N Synonym: 2-Hydroxyphenyl Phenethyl Ketone, 2-Hydroxyphenyl 2-Phenylethyl Ketone PubChem CID: 77052 IUPAC Name: 1-(2-hydroxyphenyl)-3-phenylpropan-1-one SMILES: C1=CC=C(C=C1)CCC(=O)C2=CC=CC=C2O
| PubChem CID | 77052 |
|---|---|
| CAS | 3516-95-8 |
| Molecular Weight (g/mol) | 226.275 |
| MDL Number | MFCD00002221 |
| SMILES | C1=CC=C(C=C1)CCC(=O)C2=CC=CC=C2O |
| Synonym | 2-Hydroxyphenyl Phenethyl Ketone, 2-Hydroxyphenyl 2-Phenylethyl Ketone |
| IUPAC Name | 1-(2-hydroxyphenyl)-3-phenylpropan-1-one |
| InChI Key | JCPGMXJLFWGRMZ-UHFFFAOYSA-N |
| Molecular Formula | C15H14O2 |
Coumarin 153 98.0+%, TCI America™
CAS: 53518-18-6 Molecular Formula: C16H14F3NO2 Molecular Weight (g/mol): 309.288 MDL Number: MFCD00041843 InChI Key: VSSSHNJONFTXHS-UHFFFAOYSA-N Synonym: coumarin 153,pilot 495,c 6f,coumarin 540a,1h,5h,11h-1 benzopyrano 6,7,8-ij quinolizin-11-one, 2,3,6,7-tetrahydro-9-trifluoromethyl,2,3,6,7-tetrahydro-9-trifluoromethyl-1h,5h,11h-1 benzopyrano 6,7,8-ij quinolizin-11-one,9-trifluoromethyl-2,3,6,7-tetrahydro-1h,5h,11h-pyrano 2,3-f pyrido 3,2,1-ij quinolin-11-one,8-trifluoromethyl-2,3,5,6-tetrahydro-1h,4h-11-oxa-3a-aza-benzo de anthracen-10-one PubChem CID: 72652 ChEBI: CHEBI:51773 SMILES: C1CC2=C3C(=C4C(=C2)C(=CC(=O)O4)C(F)(F)F)CCCN3C1
| PubChem CID | 72652 |
|---|---|
| CAS | 53518-18-6 |
| Molecular Weight (g/mol) | 309.288 |
| ChEBI | CHEBI:51773 |
| MDL Number | MFCD00041843 |
| SMILES | C1CC2=C3C(=C4C(=C2)C(=CC(=O)O4)C(F)(F)F)CCCN3C1 |
| Synonym | coumarin 153,pilot 495,c 6f,coumarin 540a,1h,5h,11h-1 benzopyrano 6,7,8-ij quinolizin-11-one, 2,3,6,7-tetrahydro-9-trifluoromethyl,2,3,6,7-tetrahydro-9-trifluoromethyl-1h,5h,11h-1 benzopyrano 6,7,8-ij quinolizin-11-one,9-trifluoromethyl-2,3,6,7-tetrahydro-1h,5h,11h-pyrano 2,3-f pyrido 3,2,1-ij quinolin-11-one,8-trifluoromethyl-2,3,5,6-tetrahydro-1h,4h-11-oxa-3a-aza-benzo de anthracen-10-one |
| InChI Key | VSSSHNJONFTXHS-UHFFFAOYSA-N |
| Molecular Formula | C16H14F3NO2 |
8-Methoxy-4-methylbenzo[g]coumarin 98.0+%, TCI America™
CAS: 69169-71-7 Molecular Formula: C15H12O3 Molecular Weight (g/mol): 240.26 MDL Number: MFCD00445784 InChI Key: GWFUYESISQUIHB-UHFFFAOYSA-N Synonym: 8-Methoxy-4-methyl-2H-naphtho[2,3-b]pyran-2-one PubChem CID: 12448345 IUPAC Name: 8-methoxy-4-methyl-2H-benzo[g]chromen-2-one SMILES: COC1=CC=C2C=C3C(C)=CC(=O)OC3=CC2=C1
| PubChem CID | 12448345 |
|---|---|
| CAS | 69169-71-7 |
| Molecular Weight (g/mol) | 240.26 |
| MDL Number | MFCD00445784 |
| SMILES | COC1=CC=C2C=C3C(C)=CC(=O)OC3=CC2=C1 |
| Synonym | 8-Methoxy-4-methyl-2H-naphtho[2,3-b]pyran-2-one |
| IUPAC Name | 8-methoxy-4-methyl-2H-benzo[g]chromen-2-one |
| InChI Key | GWFUYESISQUIHB-UHFFFAOYSA-N |
| Molecular Formula | C15H12O3 |