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Phenylpropanoids and polyketides

Phenylpropaniods are organic compounds characterized by having an aromatic ring and a three-carbon propene tail. Polyketides are compounds characterized by having two or more carbonyl functional groups connected with a single carbon atom.
Flavonoids (23)
Tetracyclines (23)
Coumarins and derivatives (7)
Cinnamic acids and derivatives (6)
Cinnamyl alcohols (4)
Phenylpropanoic acids (4)
Isocoumarins and derivatives (2)
Isoflavonoids (2)

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1 – 15 of 28 results
1

Genistein, 99%, synthetic

CAS: 446-72-0 Molecular Formula: C15H10O5 Molecular Weight (g/mol): 270.24 MDL Number: MFCD00016952 InChI Key: TZBJGXHYKVUXJN-UHFFFAOYSA-N Synonym: genistein,prunetol,genisteol,4',5,7-trihydroxyisoflavone,genisterin,sophoricol,5,7,4'-trihydroxyisoflavone,bonistein,5,7-dihydroxy-3-4-hydroxyphenyl-4h-chromen-4-one,genestein PubChem CID: 5280961 ChEBI: CHEBI:28088 IUPAC Name: 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one SMILES: OC1=CC=C(C=C1)C1=COC2=CC(O)=CC(O)=C2C1=O

PubChem CID 5280961
CAS 446-72-0
Molecular Weight (g/mol) 270.24
ChEBI CHEBI:28088
MDL Number MFCD00016952
SMILES OC1=CC=C(C=C1)C1=COC2=CC(O)=CC(O)=C2C1=O
Synonym genistein,prunetol,genisteol,4',5,7-trihydroxyisoflavone,genisterin,sophoricol,5,7,4'-trihydroxyisoflavone,bonistein,5,7-dihydroxy-3-4-hydroxyphenyl-4h-chromen-4-one,genestein
IUPAC Name 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one
InChI Key TZBJGXHYKVUXJN-UHFFFAOYSA-N
Molecular Formula C15H10O5
2

3,4,9,10-Perylenetetracarboxylic dianhydride, 98%

CAS: 128-69-8 Molecular Formula: C24H8O6 Molecular Weight (g/mol): 392.32 MDL Number: MFCD00006916 InChI Key: CLYVDMAATCIVBF-UHFFFAOYSA-N Synonym: 3,4,9,10-perylenetetracarboxylic dianhydride,pigment red 224,ptcda,perylene-3,4,9,10-tetracarboxylic dianhydride,perylenetetracarboxylic anhydride,anthra 2,1,9-def:6,5,10-d'e'f' diisochromene-1,3,8,10-tetraone,perylo 3,4-cd:9,10-c'd' dipyran-1,3,8,10-tetrone,perylenetetracarboxylic acid dianhydride,3,4:9,10-perylenetetracarboxylic anhydride PubChem CID: 67191 IUPAC Name: 7,18-dioxaheptacyclo[14.6.2.2²,⁵.0³,¹².0⁴,⁹.0¹³,²³.0²⁰,²⁴]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone SMILES: O=C1OC(=O)C2=CC=C3C4=CC=C5C(=O)OC(=O)C6=CC=C(C7=CC=C1C2=C37)C4=C56

PubChem CID 67191
CAS 128-69-8
Molecular Weight (g/mol) 392.32
MDL Number MFCD00006916
SMILES O=C1OC(=O)C2=CC=C3C4=CC=C5C(=O)OC(=O)C6=CC=C(C7=CC=C1C2=C37)C4=C56
Synonym 3,4,9,10-perylenetetracarboxylic dianhydride,pigment red 224,ptcda,perylene-3,4,9,10-tetracarboxylic dianhydride,perylenetetracarboxylic anhydride,anthra 2,1,9-def:6,5,10-d'e'f' diisochromene-1,3,8,10-tetraone,perylo 3,4-cd:9,10-c'd' dipyran-1,3,8,10-tetrone,perylenetetracarboxylic acid dianhydride,3,4:9,10-perylenetetracarboxylic anhydride
IUPAC Name 7,18-dioxaheptacyclo[14.6.2.2²,⁵.0³,¹².0⁴,⁹.0¹³,²³.0²⁰,²⁴]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone
InChI Key CLYVDMAATCIVBF-UHFFFAOYSA-N
Molecular Formula C24H8O6
3

Thermo Scientific Chemicals 7-Diethylamino-4-methylcoumarin, 99%

CAS: 91-44-1 Molecular Formula: C14H17NO2 Molecular Weight (g/mol): 231.29 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) 231.29
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
4

4-Hydroxybenzylideneacetone, 97%

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 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
InChI Key OCNIKEFATSKIBE-NSCUHMNNSA-N
Molecular Formula C10H10O2
5

Morin hydrate

CAS: 654055-01-3 Molecular Formula: C15H10O7 Molecular Weight (g/mol): 302.24 MDL Number: MFCD00217054 InChI Key: YXOLAZRVSSWPPT-UHFFFAOYSA-N Synonym: morin hydrate,morinhydrate,bois d,arc hydrate,2-2,4-dihydroxyphenyl-3,5,7-trihydroxy-4h-chromen-4-one hydrate,morin hydrate, powder,morin flavonol,morin hydrate aurantica,2-2,4-dihydroxyphenyl-3,5,7-trihydroxy-chromen-4-one hydrate,2 inverted exclamation marka,3,4 inverted exclamation marka,5,7-pentahydroxyflavone PubChem CID: 16219651 IUPAC Name: 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;hydrate SMILES: OC1=CC(O)=C(C=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1

PubChem CID 16219651
CAS 654055-01-3
Molecular Weight (g/mol) 302.24
MDL Number MFCD00217054
SMILES OC1=CC(O)=C(C=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1
Synonym morin hydrate,morinhydrate,bois d,arc hydrate,2-2,4-dihydroxyphenyl-3,5,7-trihydroxy-4h-chromen-4-one hydrate,morin hydrate, powder,morin flavonol,morin hydrate aurantica,2-2,4-dihydroxyphenyl-3,5,7-trihydroxy-chromen-4-one hydrate,2 inverted exclamation marka,3,4 inverted exclamation marka,5,7-pentahydroxyflavone
IUPAC Name 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;hydrate
InChI Key YXOLAZRVSSWPPT-UHFFFAOYSA-N
Molecular Formula C15H10O7
6

Ibuprofen, 99%, Thermo Scientific Chemicals

CAS: 15687-27-1 Molecular Formula: C13H18O2 Molecular Weight (g/mol): 206.29 MDL Number: MFCD00010393 InChI Key: HEFNNWSXXWATRW-UHFFFAOYNA-N 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

PubChem CID 3672
CAS 15687-27-1
Molecular Weight (g/mol) 206.29
ChEBI CHEBI:5855
MDL Number MFCD00010393
SMILES CC(C)CC1=CC=C(C=C1)C(C)C(O)=O
IUPAC Name 2-[4-(2-methylpropyl)phenyl]propanoic acid
InChI Key HEFNNWSXXWATRW-UHFFFAOYNA-N
Molecular Formula C13H18O2
7

trans-4-Methoxycinnamic acid, 98%

CAS: 943-89-5 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.19 MDL Number: MFCD00004398 InChI Key: AFDXODALSZRGIH-QPJJXVBHSA-N Synonym: 4-methoxycinnamic acid,p-methoxycinnamic acid,3-4-methoxyphenyl acrylic acid,trans-4-methoxycinnamic acid,4-methoxycinnamate,para-methoxycinnamic acid,o-methyl-p-coumaric acid,cinnamic acid, p-methoxy,e-3-4-methoxyphenyl acrylic acid,e-3-4-methoxyphenyl-2-propenoic acid PubChem CID: 699414 IUPAC Name: (E)-3-(4-methoxyphenyl)prop-2-enoic acid SMILES: COC1=CC=C(\C=C\C(O)=O)C=C1

PubChem CID 699414
CAS 943-89-5
Molecular Weight (g/mol) 178.19
MDL Number MFCD00004398
SMILES COC1=CC=C(\C=C\C(O)=O)C=C1
Synonym 4-methoxycinnamic acid,p-methoxycinnamic acid,3-4-methoxyphenyl acrylic acid,trans-4-methoxycinnamic acid,4-methoxycinnamate,para-methoxycinnamic acid,o-methyl-p-coumaric acid,cinnamic acid, p-methoxy,e-3-4-methoxyphenyl acrylic acid,e-3-4-methoxyphenyl-2-propenoic acid
IUPAC Name (E)-3-(4-methoxyphenyl)prop-2-enoic acid
InChI Key AFDXODALSZRGIH-QPJJXVBHSA-N
Molecular Formula C10H10O3
8

(S)-(+)-Ibuprofen, 99%, Thermo Scientific Chemicals

CAS: 51146-56-6 Molecular Formula: C13H18O2 Molecular Weight (g/mol): 206.28 MDL Number: MFCD00069289 InChI Key: HEFNNWSXXWATRW-JTQLQIEISA-N Synonym: s-+-ibuprofen,dexibuprofen,s +-ibuprofen,s-2-4-isobutylphenyl propanoic acid,s-ibuprofen,d-ibuproten,s-+-2-4-isobutylphenyl propionic acid,s-+-4-isobutyl-alpha-methylphenylacetic acid,+-s-p-isobutylhydratropic acid,seractil PubChem CID: 39912 ChEBI: CHEBI:43415 IUPAC Name: (2S)-2-[4-(2-methylpropyl)phenyl]propanoic acid SMILES: CC(C)CC1=CC=C(C=C1)C(C)C(=O)O

PubChem CID 39912
CAS 51146-56-6
Molecular Weight (g/mol) 206.28
ChEBI CHEBI:43415
MDL Number MFCD00069289
SMILES CC(C)CC1=CC=C(C=C1)C(C)C(=O)O
Synonym s-+-ibuprofen,dexibuprofen,s +-ibuprofen,s-2-4-isobutylphenyl propanoic acid,s-ibuprofen,d-ibuproten,s-+-2-4-isobutylphenyl propionic acid,s-+-4-isobutyl-alpha-methylphenylacetic acid,+-s-p-isobutylhydratropic acid,seractil
IUPAC Name (2S)-2-[4-(2-methylpropyl)phenyl]propanoic acid
InChI Key HEFNNWSXXWATRW-JTQLQIEISA-N
Molecular Formula C13H18O2
9

Cinnamyl alcohol, 98% trans

CAS: 104-54-1 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.18 MDL Number: MFCD00002921 InChI Key: OOCCDEMITAIZTP-QPJJXVBHSA-N Synonym: cinnamyl alcohol,cinnamic alcohol,3-phenyl-2-propen-1-ol,3-phenylprop-2-en-1-ol,zimtalcohol,styryl carbinol,e-3-phenylprop-2-en-1-ol,3-phenylallyl alcohol,trans-cinnamyl alcohol,styryl alcohol PubChem CID: 5315892 ChEBI: CHEBI:33227 IUPAC Name: (E)-3-phenylprop-2-en-1-ol SMILES: C1=CC=C(C=C1)C=CCO

PubChem CID 5315892
CAS 104-54-1
Molecular Weight (g/mol) 134.18
ChEBI CHEBI:33227
MDL Number MFCD00002921
SMILES C1=CC=C(C=C1)C=CCO
Synonym cinnamyl alcohol,cinnamic alcohol,3-phenyl-2-propen-1-ol,3-phenylprop-2-en-1-ol,zimtalcohol,styryl carbinol,e-3-phenylprop-2-en-1-ol,3-phenylallyl alcohol,trans-cinnamyl alcohol,styryl alcohol
IUPAC Name (E)-3-phenylprop-2-en-1-ol
InChI Key OOCCDEMITAIZTP-QPJJXVBHSA-N
Molecular Formula C9H10O
10

7-Diethylamino-4-methylcoumarin, 99%

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
11

4-(Bromomethyl)-7-methoxycoumarin, 97%

CAS: 35231-44-8 Molecular Formula: C11H9BrO3 Molecular Weight (g/mol): 269.09 MDL Number: MFCD00006869 InChI Key: CTENSLORRMFPDH-UHFFFAOYSA-N Synonym: 4-bromomethyl-7-methoxycoumarin,4-bromomethyl-7-methoxy-2h-chromen-2-one,br-mmc,ccris 7996,4-bromomethyl-7-methoxychromen-2-one,2h-1-benzopyran-2-one, 4-bromomethyl-7-methoxy,4-bromomethyl-7-methoxy-2-oxo-2h-benzopyran,acmc-1agnd,4-brommethyl-7-methoxy-2h-chromen-2-on,4-bromomethyl-7-methoxy coumarin PubChem CID: 121894 IUPAC Name: 4-(bromomethyl)-7-methoxychromen-2-one SMILES: COC1=CC=C2C(CBr)=CC(=O)OC2=C1

PubChem CID 121894
CAS 35231-44-8
Molecular Weight (g/mol) 269.09
MDL Number MFCD00006869
SMILES COC1=CC=C2C(CBr)=CC(=O)OC2=C1
Synonym 4-bromomethyl-7-methoxycoumarin,4-bromomethyl-7-methoxy-2h-chromen-2-one,br-mmc,ccris 7996,4-bromomethyl-7-methoxychromen-2-one,2h-1-benzopyran-2-one, 4-bromomethyl-7-methoxy,4-bromomethyl-7-methoxy-2-oxo-2h-benzopyran,acmc-1agnd,4-brommethyl-7-methoxy-2h-chromen-2-on,4-bromomethyl-7-methoxy coumarin
IUPAC Name 4-(bromomethyl)-7-methoxychromen-2-one
InChI Key CTENSLORRMFPDH-UHFFFAOYSA-N
Molecular Formula C11H9BrO3
12

Engeletin, MedChemExpress

MedChemExpress Engeletin is a flavanonol glycoside isolated from hymenaea martiana, inhibits NF-κB signaling-pathway activation, and possesses anti-inflammatory, analgesic, diuresis, detumescence, and antibiosis effects.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 434.39
Color White
Physical Form Solid
Chemical Name or Material Engeletin
Grade Research
SMILES OC1=CC(O)=C(C([C@H](O[C@@]2([H])[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O2)[C@@H](C3=CC=C(O)C=C3)O4)=O)C4=C1
For Use With (Application) COVID-19-immunoregulation
Percent Purity 98.88%
CAS 572-31-6
Solubility Information DMSO : ≥ 100 mg/mL (230.21 mM)
Purity Grade Notes Research
Recommended Storage Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Shelf Life Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Molecular Formula C21H22O10
Formula Weight 434.39
13

IKarisoside A, MedChemExpress

MedChemExpress IKarisoside A (Icarisoside-A) is a natural flavonol glycoside and has anti-inflammatory properties.

ENCOMPASS_PREFERRED
14

Nicotiflorin, MedChemExpress

MedChemExpress Nicotiflorin is a flavonoid glycoside extracted from a traditional Chinese medicine Flos Carthami. Nicotiflorin shows potent antiglycation activity and neuroprotection effects.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 594.52
Color Yellow
Physical Form Solid
Chemical Name or Material Nicotiflorin
Grade Research
SMILES O=C1C(O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](CO[C@H]3[C@@H]([C@@H]([C@H]([C@H](C)O3)O)O)O)O2)O)O)O)=C(C4=CC=C(O)C=C4)OC5=CC(O)=CC(O)=C15
For Use With (Application) Neuroscience-Neuromodulation
Percent Purity 99.19%
CAS 17650-84-9
Solubility Information DMSO : 250 mg/mL (420.51 mM; Need ultrasonic)
Health Hazard 1 H302
Purity Grade Notes Research
Recommended Storage 4°C, protect from light∣In solvent : -80°C, 6 months∣-20°C, 1 month (protect from light)
Shelf Life 4°C, protect from light∣In solvent : -80°C, 6 months∣-20°C, 1 month (protect from light)
Molecular Formula C27H30O15
Formula Weight 594.52
15

Sophoricoside, MedChemExpress

MedChemExpress Sophoricoside is an isoflavone glycoside isolated from Sophora japonica and has anti-inflammatory, anti-cancer and immunosuppressive effects.

ENCOMPASS_PREFERRED