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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.
Cinnamic acids and derivatives (932)
Flavonoids (926)
Linear 1 3-diarylpropanoids (793)
Coumarins and derivatives (713)
Depsides and depsidones (520)
Phenylpropanoic acids (342)
Isoflavonoids (220)
Cinnamaldehydes (133)
Stilbenes (110)
Macrolide lactams (92)
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Macrolides and analogues (74)
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Cinnamyl alcohols (60)
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Macrolactams (24)
Dihydrocoumarins (17)
Neoflavonoids (14)
Ochratoxins and related substances (11)
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631 – 645 of 4,431 results
631

7-Acetoxy-4-bromomethylcoumarin 98.0+%, TCI America™

CAS: 4-8-2747 Molecular Formula: C12H9BrO4 Molecular Weight (g/mol): 297.10 MDL Number: MFCD00010707 InChI Key: YDJFMNSSDOXBSR-UHFFFAOYSA-N PubChem CID: 188296 IUPAC Name: [4-(bromomethyl)-2-oxochromen-7-yl] acetate SMILES: CC(=O)OC1=CC2=C(C=C1)C(=CC(=O)O2)CBr

PubChem CID 188296
CAS 4-8-2747
Molecular Weight (g/mol) 297.10
MDL Number MFCD00010707
SMILES CC(=O)OC1=CC2=C(C=C1)C(=CC(=O)O2)CBr
IUPAC Name [4-(bromomethyl)-2-oxochromen-7-yl] acetate
InChI Key YDJFMNSSDOXBSR-UHFFFAOYSA-N
Molecular Formula C12H9BrO4
632

Coumarin-3-carbonitrile 98.0+%, TCI America™

CAS: 15119-34-3 Molecular Formula: C10H5NO2 Molecular Weight (g/mol): 171.16 MDL Number: MFCD00115699 InChI Key: QKJALQPLNMEDAV-UHFFFAOYSA-N Synonym: 3-cyanocoumarin,2-oxo-2h-chromene-3-carbonitrile,coumarin-3-carbonitrile,2h-1-benzopyran-3-carbonitrile, 2-oxo,2-oxo-2h-1-benzopyran-3-carbonitrile,coumarin, 3-cyano-7ci,8ci,3-cyano-coumarin,pubchem8675,acmc-1cfdq PubChem CID: 203763 IUPAC Name: 2-oxo-2H-chromene-3-carbonitrile SMILES: O=C1OC2=CC=CC=C2C=C1C#N

PubChem CID 203763
CAS 15119-34-3
Molecular Weight (g/mol) 171.16
MDL Number MFCD00115699
SMILES O=C1OC2=CC=CC=C2C=C1C#N
Synonym 3-cyanocoumarin,2-oxo-2h-chromene-3-carbonitrile,coumarin-3-carbonitrile,2h-1-benzopyran-3-carbonitrile, 2-oxo,2-oxo-2h-1-benzopyran-3-carbonitrile,coumarin, 3-cyano-7ci,8ci,3-cyano-coumarin,pubchem8675,acmc-1cfdq
IUPAC Name 2-oxo-2H-chromene-3-carbonitrile
InChI Key QKJALQPLNMEDAV-UHFFFAOYSA-N
Molecular Formula C10H5NO2
633

7-(Ethylamino)-4,6-dimethylcoumarin 98.0+%, TCI America™

CAS: 26078-25-1 Molecular Formula: C13H15NO2 Molecular Weight (g/mol): 217.268 MDL Number: MFCD00006860 InChI Key: QZXAEJGHNXJTSE-UHFFFAOYSA-N Synonym: coumarin 2,4,6-dimethyl-7-ethylamino coumarin,7-ethylamino-4,6-dimethyl coumarin,7-ethylamino-4,6-dimethyl-2h-chromen-2-one,7-ethylamino-4,6-dimethyl-chromen-2-one,4,6-dimethyl-7-ethylaminocoumarin,coumarin, 7-ethylamino-4,6-dimethyl,2h-1-benzopyran-2-one, 7-ethylamino-4,6-dimethyl,coumarin 450,ccris 4958 PubChem CID: 96929 IUPAC Name: 7-(ethylamino)-4,6-dimethylchromen-2-one SMILES: CCNC1=C(C=C2C(=CC(=O)OC2=C1)C)C

PubChem CID 96929
CAS 26078-25-1
Molecular Weight (g/mol) 217.268
MDL Number MFCD00006860
SMILES CCNC1=C(C=C2C(=CC(=O)OC2=C1)C)C
Synonym coumarin 2,4,6-dimethyl-7-ethylamino coumarin,7-ethylamino-4,6-dimethyl coumarin,7-ethylamino-4,6-dimethyl-2h-chromen-2-one,7-ethylamino-4,6-dimethyl-chromen-2-one,4,6-dimethyl-7-ethylaminocoumarin,coumarin, 7-ethylamino-4,6-dimethyl,2h-1-benzopyran-2-one, 7-ethylamino-4,6-dimethyl,coumarin 450,ccris 4958
IUPAC Name 7-(ethylamino)-4,6-dimethylchromen-2-one
InChI Key QZXAEJGHNXJTSE-UHFFFAOYSA-N
Molecular Formula C13H15NO2
634

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
635

Ethyl 7-Hydroxycoumarin-3-carboxylate 98.0+%, TCI America™

CAS: 6093-71-6 Molecular Formula: C12H10O5 Molecular Weight (g/mol): 234.207 MDL Number: MFCD00017641 InChI Key: IETDBZQIWIJQJG-UHFFFAOYSA-N Synonym: 7-Hydroxycoumarin-3-carboxylic Acid Ethyl Ester, Ethyl Umbelliferone-3-carboxylate, Umbelliferone-3-carboxylic Acid Ethyl Ester PubChem CID: 5289613 IUPAC Name: ethyl 7-hydroxy-2-oxochromene-3-carboxylate SMILES: CCOC(=O)C1=CC2=C(C=C(C=C2)O)OC1=O

PubChem CID 5289613
CAS 6093-71-6
Molecular Weight (g/mol) 234.207
MDL Number MFCD00017641
SMILES CCOC(=O)C1=CC2=C(C=C(C=C2)O)OC1=O
Synonym 7-Hydroxycoumarin-3-carboxylic Acid Ethyl Ester, Ethyl Umbelliferone-3-carboxylate, Umbelliferone-3-carboxylic Acid Ethyl Ester
IUPAC Name ethyl 7-hydroxy-2-oxochromene-3-carboxylate
InChI Key IETDBZQIWIJQJG-UHFFFAOYSA-N
Molecular Formula C12H10O5
636

3-(2-Benzothiazolyl)-7-(diethylamino)coumarin 98.0+%, TCI America™

CAS: 38215-36-0 Molecular Formula: C20H18N2O2S Molecular Weight (g/mol): 350.436 MDL Number: MFCD00041869 InChI Key: VBVAVBCYMYWNOU-UHFFFAOYSA-N Synonym: coumarin 6,3-2-benzothiazolyl-7-diethylamino coumarin,2h-1-benzopyran-2-one, 3-2-benzothiazolyl-7-diethylamino,3-benzo d thiazol-2-yl-7-diethylamino-2h-chromen-2-one,3-1,3-benzothiazol-2-yl-7-diethylamino-2h-chromen-2-one,3-1,3-benzothiazol-2-yl-7-diethylamino chromen-2-one,3-2-benzthiazolyl-7-diethylaminocoumarin,3-2-benzothiazolyl-n,n-diethylumbelliferylamine,3-benzothiazol-2-yl-7-diethylamino chromen-2-one,coumarin-6 PubChem CID: 100334 ChEBI: CHEBI:51942 IUPAC Name: 3-(1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one SMILES: CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4S3

PubChem CID 100334
CAS 38215-36-0
Molecular Weight (g/mol) 350.436
ChEBI CHEBI:51942
MDL Number MFCD00041869
SMILES CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4S3
Synonym coumarin 6,3-2-benzothiazolyl-7-diethylamino coumarin,2h-1-benzopyran-2-one, 3-2-benzothiazolyl-7-diethylamino,3-benzo d thiazol-2-yl-7-diethylamino-2h-chromen-2-one,3-1,3-benzothiazol-2-yl-7-diethylamino-2h-chromen-2-one,3-1,3-benzothiazol-2-yl-7-diethylamino chromen-2-one,3-2-benzthiazolyl-7-diethylaminocoumarin,3-2-benzothiazolyl-n,n-diethylumbelliferylamine,3-benzothiazol-2-yl-7-diethylamino chromen-2-one,coumarin-6
IUPAC Name 3-(1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one
InChI Key VBVAVBCYMYWNOU-UHFFFAOYSA-N
Molecular Formula C20H18N2O2S
637

3-Cyanoumbelliferone 98.0+%, TCI America™

CAS: 19088-73-4 Molecular Formula: C10H5NO3 Molecular Weight (g/mol): 187.15 MDL Number: MFCD00037480 InChI Key: IJQYTHQDUDCJEQ-UHFFFAOYSA-N Synonym: 3-Cyano-7-hydroxycoumarin PubChem CID: 5393173 IUPAC Name: 7-hydroxy-2-oxo-2H-chromene-3-carbonitrile SMILES: OC1=CC=C2C=C(C#N)C(=O)OC2=C1

PubChem CID 5393173
CAS 19088-73-4
Molecular Weight (g/mol) 187.15
MDL Number MFCD00037480
SMILES OC1=CC=C2C=C(C#N)C(=O)OC2=C1
Synonym 3-Cyano-7-hydroxycoumarin
IUPAC Name 7-hydroxy-2-oxo-2H-chromene-3-carbonitrile
InChI Key IJQYTHQDUDCJEQ-UHFFFAOYSA-N
Molecular Formula C10H5NO3
638

6-Bromo-4-hydroxycoumarin 98.0+%, TCI America™

CAS: 4139-61-1 Molecular Formula: C9H5BrO3 Molecular Weight (g/mol): 241.04 MDL Number: MFCD00239372 InChI Key: KNMCTCABMSGXGR-UHFFFAOYSA-N PubChem CID: 54691404 IUPAC Name: 6-bromo-4-hydroxychromen-2-one SMILES: C1=CC2=C(C=C1Br)C(=CC(=O)O2)O

PubChem CID 54691404
CAS 4139-61-1
Molecular Weight (g/mol) 241.04
MDL Number MFCD00239372
SMILES C1=CC2=C(C=C1Br)C(=CC(=O)O2)O
IUPAC Name 6-bromo-4-hydroxychromen-2-one
InChI Key KNMCTCABMSGXGR-UHFFFAOYSA-N
Molecular Formula C9H5BrO3
639

7-(Diethylamino)coumarin-3-carbonitrile 98.0+%, TCI America™

CAS: 51473-74-6 Molecular Formula: C14H14N2O2 Molecular Weight (g/mol): 242.278 MDL Number: MFCD00068688 InChI Key: LOUYEVRVQGFIFB-UHFFFAOYSA-N Synonym: 3-Cyano-7-(diethylamino)coumarin PubChem CID: 688937 IUPAC Name: 7-(diethylamino)-2-oxochromene-3-carbonitrile SMILES: CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C#N

PubChem CID 688937
CAS 51473-74-6
Molecular Weight (g/mol) 242.278
MDL Number MFCD00068688
SMILES CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C#N
Synonym 3-Cyano-7-(diethylamino)coumarin
IUPAC Name 7-(diethylamino)-2-oxochromene-3-carbonitrile
InChI Key LOUYEVRVQGFIFB-UHFFFAOYSA-N
Molecular Formula C14H14N2O2
640

8-Acetyl-7-hydroxy-4-methylcoumarin 98.0+%, TCI America™

CAS: 2555-29-5 Molecular Formula: C12H10O4 Molecular Weight (g/mol): 218.21 MDL Number: MFCD00100602 InChI Key: WZOMQVFUPMLOGT-UHFFFAOYSA-N Synonym: 8-Acetyl-4-methylumbelliferone PubChem CID: 5324648 IUPAC Name: 8-acetyl-7-hydroxy-4-methyl-2H-chromen-2-one SMILES: CC(=O)C1=C2OC(=O)C=C(C)C2=CC=C1O

PubChem CID 5324648
CAS 2555-29-5
Molecular Weight (g/mol) 218.21
MDL Number MFCD00100602
SMILES CC(=O)C1=C2OC(=O)C=C(C)C2=CC=C1O
Synonym 8-Acetyl-4-methylumbelliferone
IUPAC Name 8-acetyl-7-hydroxy-4-methyl-2H-chromen-2-one
InChI Key WZOMQVFUPMLOGT-UHFFFAOYSA-N
Molecular Formula C12H10O4
641

4-Hydroxy-3-nitrocoumarin 98.0+%, TCI America™

CAS: 20261-31-8 Molecular Formula: C9H5NO5 Molecular Weight (g/mol): 207.141 MDL Number: MFCD00051671 InChI Key: NZQAQAUWFHMVEM-UHFFFAOYSA-N Synonym: 4-hydroxy-3-nitrocoumarin,4-hydroxy-3-nitro-2h-chromen-2-one,3-nitro-4-hydroxycoumarin,2h-1-benzopyran-2-one, 4-hydroxy-3-nitro,2-hydroxy-3-nitrochromen-4-one,4-hydroxy-3-nitro-chromen-2-one,2h-1-benzopyran-2-one,4-hydroxy-3-nitro,4-hydroxy-3-hydroxy oxido amino-2h-chromen-2-one,acmc-20amh1,maybridge1_005221 PubChem CID: 54682640 IUPAC Name: 4-hydroxy-3-nitrochromen-2-one SMILES: C1=CC=C2C(=C1)C(=C(C(=O)O2)[N+](=O)[O-])O

PubChem CID 54682640
CAS 20261-31-8
Molecular Weight (g/mol) 207.141
MDL Number MFCD00051671
SMILES C1=CC=C2C(=C1)C(=C(C(=O)O2)[N+](=O)[O-])O
Synonym 4-hydroxy-3-nitrocoumarin,4-hydroxy-3-nitro-2h-chromen-2-one,3-nitro-4-hydroxycoumarin,2h-1-benzopyran-2-one, 4-hydroxy-3-nitro,2-hydroxy-3-nitrochromen-4-one,4-hydroxy-3-nitro-chromen-2-one,2h-1-benzopyran-2-one,4-hydroxy-3-nitro,4-hydroxy-3-hydroxy oxido amino-2h-chromen-2-one,acmc-20amh1,maybridge1_005221
IUPAC Name 4-hydroxy-3-nitrochromen-2-one
InChI Key NZQAQAUWFHMVEM-UHFFFAOYSA-N
Molecular Formula C9H5NO5
642

4-Ethoxycoumarin 98.0+%, TCI America™

CAS: 35817-27-7 Molecular Formula: C11H10O3 Molecular Weight (g/mol): 190.198 MDL Number: MFCD00052755 InChI Key: FLZDKBHAUILYAZ-UHFFFAOYSA-N PubChem CID: 688703 IUPAC Name: 4-ethoxychromen-2-one SMILES: CCOC1=CC(=O)OC2=CC=CC=C21

PubChem CID 688703
CAS 35817-27-7
Molecular Weight (g/mol) 190.198
MDL Number MFCD00052755
SMILES CCOC1=CC(=O)OC2=CC=CC=C21
IUPAC Name 4-ethoxychromen-2-one
InChI Key FLZDKBHAUILYAZ-UHFFFAOYSA-N
Molecular Formula C11H10O3
643

2-Oxo-2H-chromen-7-yl Trifluoromethanesulfonate 98.0+%, TCI America™

CAS: 108530-10-5 Molecular Formula: C10H5F3O5S Molecular Weight (g/mol): 294.2 MDL Number: MFCD18382236 InChI Key: RHZZAJVDTLUWRD-UHFFFAOYSA-N Synonym: Trifluoromethanesulfonic Acid 2-Oxo-2H-chromen-7-yl Ester, 7-Coumaryl Trifluoromethanesulfonate, 7-Coumaryl Triflate PubChem CID: 13704479 IUPAC Name: (2-oxochromen-7-yl) trifluoromethanesulfonate SMILES: C1=CC(=CC2=C1C=CC(=O)O2)OS(=O)(=O)C(F)(F)F

PubChem CID 13704479
CAS 108530-10-5
Molecular Weight (g/mol) 294.2
MDL Number MFCD18382236
SMILES C1=CC(=CC2=C1C=CC(=O)O2)OS(=O)(=O)C(F)(F)F
Synonym Trifluoromethanesulfonic Acid 2-Oxo-2H-chromen-7-yl Ester, 7-Coumaryl Trifluoromethanesulfonate, 7-Coumaryl Triflate
IUPAC Name (2-oxochromen-7-yl) trifluoromethanesulfonate
InChI Key RHZZAJVDTLUWRD-UHFFFAOYSA-N
Molecular Formula C10H5F3O5S
644

Coumarin 545T 98.0+%, TCI America™

CAS: 155306-71-1 Molecular Formula: C26H26N2O2S Molecular Weight (g/mol): 430.566 MDL Number: MFCD03427187 InChI Key: MSDMPJCOOXURQD-UHFFFAOYSA-N Synonym: 10-(2-Benzothiazolyl)-2,3,6,7-tetrahydro-1,1,7,7-tetramethyl-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizin-11-one PubChem CID: 5112805 ChEBI: CHEBI:51896 SMILES: CC1(CCN2CCC(C3=C4C(=CC1=C32)C=C(C(=O)O4)C5=NC6=CC=CC=C6S5)(C)C)C

PubChem CID 5112805
CAS 155306-71-1
Molecular Weight (g/mol) 430.566
ChEBI CHEBI:51896
MDL Number MFCD03427187
SMILES CC1(CCN2CCC(C3=C4C(=CC1=C32)C=C(C(=O)O4)C5=NC6=CC=CC=C6S5)(C)C)C
Synonym 10-(2-Benzothiazolyl)-2,3,6,7-tetrahydro-1,1,7,7-tetramethyl-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizin-11-one
InChI Key MSDMPJCOOXURQD-UHFFFAOYSA-N
Molecular Formula C26H26N2O2S
645

Coumarin 337 98.0+%, TCI America™

CAS: 55804-68-7 Molecular Formula: C16H14N2O2 Molecular Weight (g/mol): 266.30 MDL Number: MFCD00051332 InChI Key: LGDDFMCJIHJNMK-UHFFFAOYSA-N Synonym: coumarin 337,1h,5h,11h-1 benzopyrano 6,7,8-ij quinolizine-10-carbonitrile, 2,3,6,7-tetrahydro-11-oxo,2,3,6,7-tetrahydro-11-oxo-1h,5h,11h-1 benzopyrano 6,7,8-ij quinolizine-10-carbonitrile,coumarin 523,pubchem13313,1h,11h-1 benzopyrano 6,7,8-ij quinolizine-10-carbonitrile, 2,3,6,7-tetrahydro-11-oxo,11-oxo-2,3,6,7-tetrahydro-1h,5h,11h-pyrano 2,3-f pyrido 3,2,1-ij quinoline-10-carbonitrile,1h,5h,11h-1 benzopyrano 6,7,8-ij quinolizine-10-carbonitrile,2,3,6,7-tetrahydro-11-oxo PubChem CID: 72654 IUPAC Name: 4-oxo-3-oxa-13-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1,5,7,9(17)-tetraene-5-carbonitrile SMILES: O=C1OC2=C3CCCN4CCCC(C=C2C=C1C#N)=C34

PubChem CID 72654
CAS 55804-68-7
Molecular Weight (g/mol) 266.30
MDL Number MFCD00051332
SMILES O=C1OC2=C3CCCN4CCCC(C=C2C=C1C#N)=C34
Synonym coumarin 337,1h,5h,11h-1 benzopyrano 6,7,8-ij quinolizine-10-carbonitrile, 2,3,6,7-tetrahydro-11-oxo,2,3,6,7-tetrahydro-11-oxo-1h,5h,11h-1 benzopyrano 6,7,8-ij quinolizine-10-carbonitrile,coumarin 523,pubchem13313,1h,11h-1 benzopyrano 6,7,8-ij quinolizine-10-carbonitrile, 2,3,6,7-tetrahydro-11-oxo,11-oxo-2,3,6,7-tetrahydro-1h,5h,11h-pyrano 2,3-f pyrido 3,2,1-ij quinoline-10-carbonitrile,1h,5h,11h-1 benzopyrano 6,7,8-ij quinolizine-10-carbonitrile,2,3,6,7-tetrahydro-11-oxo
IUPAC Name 4-oxo-3-oxa-13-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1,5,7,9(17)-tetraene-5-carbonitrile
InChI Key LGDDFMCJIHJNMK-UHFFFAOYSA-N
Molecular Formula C16H14N2O2