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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 (94)
Coumarins and derivatives (87)
Cinnamic acids and derivatives (51)
Linear 1 3-diarylpropanoids (32)
Phenylpropanoic acids (32)
Depsides and depsidones (21)
Isoflavonoids (17)
Stilbenes (12)
Anthracyclines (9)
Macrolide lactams (9)
Isocoumarins and derivatives (8)
Cinnamaldehydes (6)
Tetracyclines (5)
Macrolides and analogues (3)
Neoflavonoids (2)
Angucyclines (1)
Macrolactams (1)

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1 – 15 of 296 results
1

Quercetin dihydrate, 99.85%, For HPLC analysis, MP Biomedicals™

CAS: 6151-25-3 Molecular Formula: C15H14O9 Molecular Weight (g/mol): 338.27 MDL Number: MFCD00149487 InChI Key: GMGIWEZSKCNYSW-UHFFFAOYSA-N Synonym: quercetin dihydrate,2-3,4-dihydroxyphenyl-3,5,7-trihydroxy-4h-chromen-4-one dihydrate,quercetine dihydrate,quercetin, dihydrate,ccris 3304,3,3',4',5,7-pentahydroxyflavone dihydrate,quercetin dihydrate sophoretin,flavone, 3,3',4',5,7-pentahydroxy-, dihydrate,dsstox_cid_1219,2-3,4-dihydroxyphenyl-3,5,7-trihydroxy-4h-1-benzopyran-4-one dihydrate PubChem CID: 5284452 IUPAC Name: 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one dihydrate SMILES: O.O.OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC=C(O)C(O)=C2)=C1

PubChem CID 5284452
CAS 6151-25-3
Molecular Weight (g/mol) 338.27
MDL Number MFCD00149487
SMILES O.O.OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC=C(O)C(O)=C2)=C1
Synonym quercetin dihydrate,2-3,4-dihydroxyphenyl-3,5,7-trihydroxy-4h-chromen-4-one dihydrate,quercetine dihydrate,quercetin, dihydrate,ccris 3304,3,3',4',5,7-pentahydroxyflavone dihydrate,quercetin dihydrate sophoretin,flavone, 3,3',4',5,7-pentahydroxy-, dihydrate,dsstox_cid_1219,2-3,4-dihydroxyphenyl-3,5,7-trihydroxy-4h-1-benzopyran-4-one dihydrate
IUPAC Name 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one dihydrate
InChI Key GMGIWEZSKCNYSW-UHFFFAOYSA-N
Molecular Formula C15H14O9
2

phyproof™ trans-Cinnamic acid, ≥98% (HPLC), MilliporeSigma™ Supelco™

This substance is a primary reference substance with assigned absolute purity (considering chromatographic purity, water, residual solvents, inorganic impurities). The exact value can be found on the certificate. Produced by PhytoLab GmbH & Co. KG

3

trans-Cinnamic Acid, Analytical Standard, ≥98.0% (HPLC), MilliporeSigma™ Supelco™

trans-Cinnamic acid occurs in plants, formed via deamination of L-phenylalanine in the presence of enzymatic catalyst, L-phenylalanine ammonia-lyase.

4

4-Hydroxy-3-methoxycinnamic acid, Mixture of isomers, ≥99.0% (HPLC), MilliporeSigma™ Supelco™

4-Hydroxy-3-methoxycinnamic acid is a ubiquitous plant constituent primarily occurring in seeds and leaves. It arises from the metabolism of phenylalanine and tyrosine.

5

7-Amino-4-methylcoumarin 98.0+%, TCI America™
SDP

CAS: 26093-31-2 Molecular Formula: C10H9NO2 Molecular Weight (g/mol): 175.19 MDL Number: MFCD00006868 InChI Key: GLNDAGDHSLMOKX-UHFFFAOYSA-N Synonym: 7-amino-4-methylcoumarin,coumarin 120,7-amino-4-methyl-2h-chromen-2-one,2h-1-benzopyran-2-one, 7-amino-4-methyl,coumarin, 7-amino-4-methyl,4-methyl-7-aminocoumarin,7-amino-4-methyl-chromen-2-one,unii-ocy3jct44x,ccris 4961,ocy3jct44x PubChem CID: 92249 ChEBI: CHEBI:51771 IUPAC Name: 7-amino-4-methyl-2H-chromen-2-one SMILES: CC1=CC(=O)OC2=CC(N)=CC=C12

PubChem CID 92249
CAS 26093-31-2
Molecular Weight (g/mol) 175.19
ChEBI CHEBI:51771
MDL Number MFCD00006868
SMILES CC1=CC(=O)OC2=CC(N)=CC=C12
Synonym 7-amino-4-methylcoumarin,coumarin 120,7-amino-4-methyl-2h-chromen-2-one,2h-1-benzopyran-2-one, 7-amino-4-methyl,coumarin, 7-amino-4-methyl,4-methyl-7-aminocoumarin,7-amino-4-methyl-chromen-2-one,unii-ocy3jct44x,ccris 4961,ocy3jct44x
IUPAC Name 7-amino-4-methyl-2H-chromen-2-one
InChI Key GLNDAGDHSLMOKX-UHFFFAOYSA-N
Molecular Formula C10H9NO2
6

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

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
7

4-Bromomethyl-6,7-dimethoxycoumarin 98.0+%, TCI America™
SDP

CAS: 88404-25-5 Molecular Formula: C12H11BrO4 Molecular Weight (g/mol): 299.12 MDL Number: MFCD00011570 InChI Key: JGODLBJJCNQFII-UHFFFAOYSA-N Synonym: 4-bromomethyl-6,7-dimethoxycoumarin,4-bromomethyl-6,7-dimethoxy-2h-chromen-2-one,4-bromomethyl-6,7-dimethoxychromen-2-one,2h-1-benzopyran-2-one, 4-bromomethyl-6,7-dimethoxy,4-bromomethyl-6,7-dimethoxy coumarin,4-bdmc,brdmc-4,6,7,4-bromomethyl-6,7-dimethoxy-2-oxo-2h-benzopyran PubChem CID: 128870 IUPAC Name: 4-(bromomethyl)-6,7-dimethoxychromen-2-one SMILES: COC1=C(C=C2C(=C1)C(=CC(=O)O2)CBr)OC

PubChem CID 128870
CAS 88404-25-5
Molecular Weight (g/mol) 299.12
MDL Number MFCD00011570
SMILES COC1=C(C=C2C(=C1)C(=CC(=O)O2)CBr)OC
Synonym 4-bromomethyl-6,7-dimethoxycoumarin,4-bromomethyl-6,7-dimethoxy-2h-chromen-2-one,4-bromomethyl-6,7-dimethoxychromen-2-one,2h-1-benzopyran-2-one, 4-bromomethyl-6,7-dimethoxy,4-bromomethyl-6,7-dimethoxy coumarin,4-bdmc,brdmc-4,6,7,4-bromomethyl-6,7-dimethoxy-2-oxo-2h-benzopyran
IUPAC Name 4-(bromomethyl)-6,7-dimethoxychromen-2-one
InChI Key JGODLBJJCNQFII-UHFFFAOYSA-N
Molecular Formula C12H11BrO4
8

MilliporeSigma™ 7-Amino-4-methylcoumarin, Calbiochem™,

CAS: 26093-31-2 Molecular Formula: C10H9NO2 Molecular Weight (g/mol): 175.19 MDL Number: MFCD00006868 InChI Key: GLNDAGDHSLMOKX-UHFFFAOYSA-N Synonym: 7-amino-4-methylcoumarin,coumarin 120,7-amino-4-methyl-2h-chromen-2-one,2h-1-benzopyran-2-one, 7-amino-4-methyl,coumarin, 7-amino-4-methyl,4-methyl-7-aminocoumarin,7-amino-4-methyl-chromen-2-one,unii-ocy3jct44x,ccris 4961,ocy3jct44x PubChem CID: 92249 ChEBI: CHEBI:51771 IUPAC Name: 7-amino-4-methyl-2H-chromen-2-one SMILES: CC1=CC(=O)OC2=CC(N)=CC=C12

PubChem CID 92249
CAS 26093-31-2
Molecular Weight (g/mol) 175.19
ChEBI CHEBI:51771
MDL Number MFCD00006868
SMILES CC1=CC(=O)OC2=CC(N)=CC=C12
Synonym 7-amino-4-methylcoumarin,coumarin 120,7-amino-4-methyl-2h-chromen-2-one,2h-1-benzopyran-2-one, 7-amino-4-methyl,coumarin, 7-amino-4-methyl,4-methyl-7-aminocoumarin,7-amino-4-methyl-chromen-2-one,unii-ocy3jct44x,ccris 4961,ocy3jct44x
IUPAC Name 7-amino-4-methyl-2H-chromen-2-one
InChI Key GLNDAGDHSLMOKX-UHFFFAOYSA-N
Molecular Formula C10H9NO2
9

Kaempferol Hydrate 97.0+%, TCI America™
SDP

CAS: 520-18-3 Molecular Formula: C15H10O6 Molecular Weight (g/mol): 286.24 MDL Number: MFCD00016938 InChI Key: IYRMWMYZSQPJKC-UHFFFAOYSA-N Synonym: kaempferol,kaempherol,kempferol,populnetin,rhamnolutein,robigenin,trifolitin,pelargidenolon,rhamnolutin,swartziol PubChem CID: 5280863 ChEBI: CHEBI:28499 IUPAC Name: 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one SMILES: OC1=CC=C(C=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1

PubChem CID 5280863
CAS 520-18-3
Molecular Weight (g/mol) 286.24
ChEBI CHEBI:28499
MDL Number MFCD00016938
SMILES OC1=CC=C(C=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1
Synonym kaempferol,kaempherol,kempferol,populnetin,rhamnolutein,robigenin,trifolitin,pelargidenolon,rhamnolutin,swartziol
IUPAC Name 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one
InChI Key IYRMWMYZSQPJKC-UHFFFAOYSA-N
Molecular Formula C15H10O6
10

Tyrphostin AG 835 98.0+%, TCI America™
SDP

CAS: 133550-37-5 Molecular Formula: C18H16N2O3 Molecular Weight (g/mol): 308.337 MDL Number: MFCD00209855 InChI Key: UMGQVUWXNOJOSJ-CDCQXCROSA-N Synonym: tyrphostin b44, + enantiomer,--r-n-,a-methylbenzyl-3,4-dihydroxybenzylidenecyanoacetamide PubChem CID: 23919058 IUPAC Name: (Z)-2-cyano-3-(3,4-dihydroxyphenyl)-N-[(1R)-1-phenylethyl]prop-2-enamide SMILES: CC(C1=CC=CC=C1)NC(=O)C(=CC2=CC(=C(C=C2)O)O)C#N

PubChem CID 23919058
CAS 133550-37-5
Molecular Weight (g/mol) 308.337
MDL Number MFCD00209855
SMILES CC(C1=CC=CC=C1)NC(=O)C(=CC2=CC(=C(C=C2)O)O)C#N
Synonym tyrphostin b44, + enantiomer,--r-n-,a-methylbenzyl-3,4-dihydroxybenzylidenecyanoacetamide
IUPAC Name (Z)-2-cyano-3-(3,4-dihydroxyphenyl)-N-[(1R)-1-phenylethyl]prop-2-enamide
InChI Key UMGQVUWXNOJOSJ-CDCQXCROSA-N
Molecular Formula C18H16N2O3
11

Nobiletin 95.0+%, TCI America™
SDP

CAS: 478-01-3 Molecular Formula: C21H22O8 Molecular Weight (g/mol): 402.399 MDL Number: MFCD03273560 InChI Key: MRIAQLRQZPPODS-UHFFFAOYSA-N PubChem CID: 72344 ChEBI: CHEBI:7602 IUPAC Name: 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxychromen-4-one SMILES: COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC

PubChem CID 72344
CAS 478-01-3
Molecular Weight (g/mol) 402.399
ChEBI CHEBI:7602
MDL Number MFCD03273560
SMILES COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC
IUPAC Name 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxychromen-4-one
InChI Key MRIAQLRQZPPODS-UHFFFAOYSA-N
Molecular Formula C21H22O8
12

6,7-Methylenedioxy-4-methyl-3-maleimidocoumarin 98.0+%, TCI America™
SDP

CAS: 97744-90-6 Molecular Formula: C15H9NO6 Molecular Weight (g/mol): 299.238 MDL Number: MFCD00059921 InChI Key: NSFINZUKLACTRX-UHFFFAOYSA-N Synonym: 3-Maleimido-4-methyl-6,7-methylenedioxycoumarin PubChem CID: 44630383 IUPAC Name: 1-(8-methyl-6-oxo-[1,3]dioxolo[4,5-g]chromen-7-yl)pyrrole-2,5-dione SMILES: CC1=C(C(=O)OC2=CC3=C(C=C12)OCO3)N4C(=O)C=CC4=O

PubChem CID 44630383
CAS 97744-90-6
Molecular Weight (g/mol) 299.238
MDL Number MFCD00059921
SMILES CC1=C(C(=O)OC2=CC3=C(C=C12)OCO3)N4C(=O)C=CC4=O
Synonym 3-Maleimido-4-methyl-6,7-methylenedioxycoumarin
IUPAC Name 1-(8-methyl-6-oxo-[1,3]dioxolo[4,5-g]chromen-7-yl)pyrrole-2,5-dione
InChI Key NSFINZUKLACTRX-UHFFFAOYSA-N
Molecular Formula C15H9NO6
13

Butein 98.0+%, TCI America™
SDP

CAS: 487-52-5 Molecular Formula: C15H12O5 Molecular Weight (g/mol): 272.256 MDL Number: MFCD00017300 InChI Key: AYMYWHCQALZEGT-ORCRQEGFSA-N Synonym: (E)-1-(2,4-Dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-2-propen-1-one, 2′C,3,4,4′C-Tetrahydroxychalcone PubChem CID: 5281222 ChEBI: CHEBI:3237 IUPAC Name: (E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one SMILES: C1=CC(=C(C=C1C=CC(=O)C2=C(C=C(C=C2)O)O)O)O

PubChem CID 5281222
CAS 487-52-5
Molecular Weight (g/mol) 272.256
ChEBI CHEBI:3237
MDL Number MFCD00017300
SMILES C1=CC(=C(C=C1C=CC(=O)C2=C(C=C(C=C2)O)O)O)O
Synonym (E)-1-(2,4-Dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-2-propen-1-one, 2′C,3,4,4′C-Tetrahydroxychalcone
IUPAC Name (E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one
InChI Key AYMYWHCQALZEGT-ORCRQEGFSA-N
Molecular Formula C15H12O5
14

3,6-Dihydroxyflavone 98.0+%, TCI America™
SDP

CAS: 108238-41-1 Molecular Formula: C15H10O4 Molecular Weight (g/mol): 254.241 MDL Number: MFCD00143082 InChI Key: XHLOLFKZCUCROE-UHFFFAOYSA-N Synonym: 3,6-dihydroxyflavone,3,6-dihydroxy-2-phenyl-4h-chromen-4-one,6-hydroxyflavonol,3,6-dihydroxy-flavone,4h-1-benzopyran-4-one, 3,6-dihydroxy-2-phenyl,acmc-1c7fz,3,6-dihydroxy-2-phenylchromone PubChem CID: 688659 IUPAC Name: 3,6-dihydroxy-2-phenylchromen-4-one SMILES: C1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)O)O

PubChem CID 688659
CAS 108238-41-1
Molecular Weight (g/mol) 254.241
MDL Number MFCD00143082
SMILES C1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)O)O
Synonym 3,6-dihydroxyflavone,3,6-dihydroxy-2-phenyl-4h-chromen-4-one,6-hydroxyflavonol,3,6-dihydroxy-flavone,4h-1-benzopyran-4-one, 3,6-dihydroxy-2-phenyl,acmc-1c7fz,3,6-dihydroxy-2-phenylchromone
IUPAC Name 3,6-dihydroxy-2-phenylchromen-4-one
InChI Key XHLOLFKZCUCROE-UHFFFAOYSA-N
Molecular Formula C15H10O4
15

Doxorubicin Hydrochloride 95.0+%, TCI America™
SDP

CAS: 25316-40-9 Molecular Formula: C27H30ClNO11 Molecular Weight (g/mol): 579.98 MDL Number: MFCD00077757,MFCD00077757,MFCD00941448 InChI Key: MWWSFMDVAYGXBV-FGBJBKNOSA-N Synonym: doxorubicin hydrochloride,adriamycin,doxorubicin hcl,adriacin,adriblastina,rubex,adriamycin hydrochloride,adriblastin,adriamycin pfs PubChem CID: 129626538 IUPAC Name: hydrogen (8S,10S)-10-[(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy]-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione chloride SMILES: [H+].[Cl-].COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@](O)(C[C@@H]3OC3CC(N)C(O)C(C)O3)C(=O)CO)C(O)=C1C2=O

PubChem CID 129626538
CAS 25316-40-9
Molecular Weight (g/mol) 579.98
MDL Number MFCD00077757,MFCD00077757,MFCD00941448
SMILES [H+].[Cl-].COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@](O)(C[C@@H]3OC3CC(N)C(O)C(C)O3)C(=O)CO)C(O)=C1C2=O
Synonym doxorubicin hydrochloride,adriamycin,doxorubicin hcl,adriacin,adriblastina,rubex,adriamycin hydrochloride,adriblastin,adriamycin pfs
IUPAC Name hydrogen (8S,10S)-10-[(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy]-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione chloride
InChI Key MWWSFMDVAYGXBV-FGBJBKNOSA-N
Molecular Formula C27H30ClNO11