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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 (10)
Cinnamaldehydes (8)
Coumarins and derivatives (6)
Linear 1 3-diarylpropanoids (4)
Stilbenes (4)
Anthracyclines (1)
Depsides and depsidones (1)

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1

Stilbazo [Spectrophotometric reagent for Al and other metals], TCI America™

CAS: 1571-36-4 Formule moléculaire: C26H26N6O10S2 Poids moléculaire (g/mol): 646.646 Numéro MDL: MFCD00045752 Clé InChI: WMIFGUMCCUZRTH-SEPHDYHBSA-N Synonyme: Stilbene-4,4′C-bis[(1-azo)-3,4-dihydroxybenzene]-2,2′C-disulfonic Acid Diammonium Salt CID PubChem: 87194021 Nom IUPAC: azane;5-[2-(3,4-dioxocyclohexa-1,5-dien-1-yl)hydrazinyl]-2-[(E)-2-[4-[2-(3,4-dioxocyclohexa-1,5-dien-1-yl)hydrazinyl]-2-sulfophenyl]ethenyl]benzenesulfonic acid SMILES: C1=CC(=C(C=C1NNC2=CC(=O)C(=O)C=C2)S(=O)(=O)O)C=CC3=C(C=C(C=C3)NNC4=CC(=O)C(=O)C=C4)S(=O)(=O)O.N.N

Poids moléculaire (g/mol) 646.646
Synonyme Stilbene-4,4′C-bis[(1-azo)-3,4-dihydroxybenzene]-2,2′C-disulfonic Acid Diammonium Salt
Numéro MDL MFCD00045752
CAS 1571-36-4
CID PubChem 87194021
Nom IUPAC azane;5-[2-(3,4-dioxocyclohexa-1,5-dien-1-yl)hydrazinyl]-2-[(E)-2-[4-[2-(3,4-dioxocyclohexa-1,5-dien-1-yl)hydrazinyl]-2-sulfophenyl]ethenyl]benzenesulfonic acid
Clé InChI WMIFGUMCCUZRTH-SEPHDYHBSA-N
SMILES C1=CC(=C(C=C1NNC2=CC(=O)C(=O)C=C2)S(=O)(=O)O)C=CC3=C(C=C(C=C3)NNC4=CC(=O)C(=O)C=C4)S(=O)(=O)O.N.N
Formule moléculaire C26H26N6O10S2
2

4-Dimethylaminocinnamaldehyde, 98%

CAS: 6203-18-5 Formule moléculaire: C11H13NO Poids moléculaire (g/mol): 175.231 Numéro MDL: MFCD00007002 Clé InChI: RUKJCCIJLIMGEP-ONEGZZNKSA-N Synonyme: 4-dimethylamino cinnamaldehyde,4-dimethylaminocinnamaldehyde,p-dimethylaminocinnamaldehyde,3-4-dimethylamino phenyl acrylaldehyde,4-dimethylcinnamaldehyde,p-dimethylaminocinnamic aldehyde,p-dimethylamino cinnamaldehyde,cinnamaldehyde, p-dimethylamino,unii-9rsi7wz9f0,dmaca reagent CID PubChem: 5284506 Nom IUPAC: (E)-3-[4-(dimethylamino)phenyl]prop-2-enal SMILES: CN(C)C1=CC=C(C=C1)C=CC=O

Poids moléculaire (g/mol) 175.231
Synonyme 4-dimethylamino cinnamaldehyde,4-dimethylaminocinnamaldehyde,p-dimethylaminocinnamaldehyde,3-4-dimethylamino phenyl acrylaldehyde,4-dimethylcinnamaldehyde,p-dimethylaminocinnamic aldehyde,p-dimethylamino cinnamaldehyde,cinnamaldehyde, p-dimethylamino,unii-9rsi7wz9f0,dmaca reagent
Numéro MDL MFCD00007002
CAS 6203-18-5
CID PubChem 5284506
Nom IUPAC (E)-3-[4-(dimethylamino)phenyl]prop-2-enal
Clé InChI RUKJCCIJLIMGEP-ONEGZZNKSA-N
SMILES CN(C)C1=CC=C(C=C1)C=CC=O
Formule moléculaire C11H13NO
3

Thermo Scientific Chemicals 4-Dimethylaminocinnamaldehyde, 98%

CAS: 6203-18-5 Formule moléculaire: C11H13NO Poids moléculaire (g/mol): 175.23 Numéro MDL: MFCD00007002 Clé InChI: RUKJCCIJLIMGEP-ONEGZZNKSA-N Synonyme: 4-dimethylamino cinnamaldehyde,4-dimethylaminocinnamaldehyde,p-dimethylaminocinnamaldehyde,3-4-dimethylamino phenyl acrylaldehyde,4-dimethylcinnamaldehyde,p-dimethylaminocinnamic aldehyde,p-dimethylamino cinnamaldehyde,cinnamaldehyde, p-dimethylamino,unii-9rsi7wz9f0,dmaca reagent CID PubChem: 5284506 Nom IUPAC: (E)-3-[4-(dimethylamino)phenyl]prop-2-enal SMILES: CN(C)C1=CC=C(C=C1)C=CC=O

Poids moléculaire (g/mol) 175.23
Synonyme 4-dimethylamino cinnamaldehyde,4-dimethylaminocinnamaldehyde,p-dimethylaminocinnamaldehyde,3-4-dimethylamino phenyl acrylaldehyde,4-dimethylcinnamaldehyde,p-dimethylaminocinnamic aldehyde,p-dimethylamino cinnamaldehyde,cinnamaldehyde, p-dimethylamino,unii-9rsi7wz9f0,dmaca reagent
Numéro MDL MFCD00007002
CAS 6203-18-5
CID PubChem 5284506
Nom IUPAC (E)-3-[4-(dimethylamino)phenyl]prop-2-enal
Clé InChI RUKJCCIJLIMGEP-ONEGZZNKSA-N
SMILES CN(C)C1=CC=C(C=C1)C=CC=O
Formule moléculaire C11H13NO
4

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

CAS: 26093-31-2 Formule moléculaire: C10H9NO2 Poids moléculaire (g/mol): 175.19 Numéro MDL: MFCD00006868 Clé InChI: GLNDAGDHSLMOKX-UHFFFAOYSA-N Synonyme: 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 CID PubChem: 92249 ChEBI: CHEBI:51771 Nom IUPAC: 7-amino-4-methyl-2H-chromen-2-one SMILES: CC1=CC(=O)OC2=CC(N)=CC=C12

Poids moléculaire (g/mol) 175.19
Synonyme 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
Numéro MDL MFCD00006868
CAS 26093-31-2
CID PubChem 92249
ChEBI CHEBI:51771
Nom IUPAC 7-amino-4-methyl-2H-chromen-2-one
Clé InChI GLNDAGDHSLMOKX-UHFFFAOYSA-N
SMILES CC1=CC(=O)OC2=CC(N)=CC=C12
Formule moléculaire C10H9NO2
5

4-Dimethylaminocinnamaldehyde 98.0+%, TCI America™

CAS: 6203-18-5 Formule moléculaire: C11H13NO Poids moléculaire (g/mol): 175.231 Numéro MDL: MFCD00007002 Clé InChI: RUKJCCIJLIMGEP-ONEGZZNKSA-N Synonyme: 4-dimethylamino cinnamaldehyde,4-dimethylaminocinnamaldehyde,p-dimethylaminocinnamaldehyde,3-4-dimethylamino phenyl acrylaldehyde,4-dimethylcinnamaldehyde,p-dimethylaminocinnamic aldehyde,p-dimethylamino cinnamaldehyde,cinnamaldehyde, p-dimethylamino,unii-9rsi7wz9f0,dmaca reagent CID PubChem: 5284506 Nom IUPAC: (E)-3-[4-(dimethylamino)phenyl]prop-2-enal SMILES: CN(C)C1=CC=C(C=C1)C=CC=O

Poids moléculaire (g/mol) 175.231
Synonyme 4-dimethylamino cinnamaldehyde,4-dimethylaminocinnamaldehyde,p-dimethylaminocinnamaldehyde,3-4-dimethylamino phenyl acrylaldehyde,4-dimethylcinnamaldehyde,p-dimethylaminocinnamic aldehyde,p-dimethylamino cinnamaldehyde,cinnamaldehyde, p-dimethylamino,unii-9rsi7wz9f0,dmaca reagent
Numéro MDL MFCD00007002
CAS 6203-18-5
CID PubChem 5284506
Nom IUPAC (E)-3-[4-(dimethylamino)phenyl]prop-2-enal
Clé InChI RUKJCCIJLIMGEP-ONEGZZNKSA-N
SMILES CN(C)C1=CC=C(C=C1)C=CC=O
Formule moléculaire C11H13NO
6

7-Methoxycoumarin-4-acetic acid

CAS: 62935-72-2 Formule moléculaire: C12H10O5 Poids moléculaire (g/mol): 234.21 Numéro MDL: MFCD00009774 Clé InChI: ZEKAXIFHLIITGV-UHFFFAOYSA-N Synonyme: 7-methoxycoumarin-4-acetic acid,2-7-methoxy-2-oxo-2h-chromen-4-yl acetic acid,7-methoxy-2-oxo-2h-chromen-4-yl acetic acid,7-methoxy-2-oxo-2h-1-benzopyran-4-acetic acid,2h-1-benzopyran-4-acetic acid, 7-methoxy-2-oxo,2-7-methoxy-2-oxochromen-4-yl acetic acid,7-methoxy-2-oxo-2h-chromen-4-yl-acetic acid,7-methoxycoumarin-4-yl acetic acid,7-methoxy-2-oxochromen-4-yl acetic acid,mca-oh CID PubChem: 342221 ChEBI: CHEBI:51666 Nom IUPAC: 2-(7-methoxy-2-oxochromen-4-yl)acetic acid SMILES: COC1=CC=C2C(CC(O)=O)=CC(=O)OC2=C1

Poids moléculaire (g/mol) 234.21
Synonyme 7-methoxycoumarin-4-acetic acid,2-7-methoxy-2-oxo-2h-chromen-4-yl acetic acid,7-methoxy-2-oxo-2h-chromen-4-yl acetic acid,7-methoxy-2-oxo-2h-1-benzopyran-4-acetic acid,2h-1-benzopyran-4-acetic acid, 7-methoxy-2-oxo,2-7-methoxy-2-oxochromen-4-yl acetic acid,7-methoxy-2-oxo-2h-chromen-4-yl-acetic acid,7-methoxycoumarin-4-yl acetic acid,7-methoxy-2-oxochromen-4-yl acetic acid,mca-oh
Numéro MDL MFCD00009774
CAS 62935-72-2
CID PubChem 342221
ChEBI CHEBI:51666
Nom IUPAC 2-(7-methoxy-2-oxochromen-4-yl)acetic acid
Clé InChI ZEKAXIFHLIITGV-UHFFFAOYSA-N
SMILES COC1=CC=C2C(CC(O)=O)=CC(=O)OC2=C1
Formule moléculaire C12H10O5
7

Phenyl salicylate, 99%

CAS: 118-55-8 Formule moléculaire: C13H10O3 Poids moléculaire (g/mol): 214.22 Clé InChI: ZQBAKBUEJOMQEX-UHFFFAOYSA-N Synonyme: phenyl salicylate,salol,phenol salicylate,salphenyl,musol,2-phenoxycarbonylphenol,benzoic acid, 2-hydroxy-, phenyl ester,salicylic acid, phenyl ester,2-hydroxybenzoic acid phenyl ester,phenyl-2-hydroxybenzoate CID PubChem: 8361 ChEBI: CHEBI:34918 Nom IUPAC: phenyl 2-hydroxybenzoate SMILES: C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O

Poids moléculaire (g/mol) 214.22
Synonyme phenyl salicylate,salol,phenol salicylate,salphenyl,musol,2-phenoxycarbonylphenol,benzoic acid, 2-hydroxy-, phenyl ester,salicylic acid, phenyl ester,2-hydroxybenzoic acid phenyl ester,phenyl-2-hydroxybenzoate
CAS 118-55-8
CID PubChem 8361
ChEBI CHEBI:34918
Nom IUPAC phenyl 2-hydroxybenzoate
Clé InChI ZQBAKBUEJOMQEX-UHFFFAOYSA-N
SMILES C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O
Formule moléculaire C13H10O3
12

4-Bromomethyl-6,7-dimethoxycoumarin, 95%

CAS: 88404-25-5 Formule moléculaire: C12H11BrO4 Poids moléculaire (g/mol): 299.12 Numéro MDL: MFCD00011570 Clé InChI: JGODLBJJCNQFII-UHFFFAOYSA-N Synonyme: 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 CID PubChem: 128870 Nom IUPAC: 4-(bromomethyl)-6,7-dimethoxychromen-2-one SMILES: COC1=C(C=C2C(=C1)C(=CC(=O)O2)CBr)OC

Poids moléculaire (g/mol) 299.12
Synonyme 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
Numéro MDL MFCD00011570
CAS 88404-25-5
CID PubChem 128870
Nom IUPAC 4-(bromomethyl)-6,7-dimethoxychromen-2-one
Clé InChI JGODLBJJCNQFII-UHFFFAOYSA-N
SMILES COC1=C(C=C2C(=C1)C(=CC(=O)O2)CBr)OC
Formule moléculaire C12H11BrO4
13

Avobenzone, 97%, Spectrum™ Chemical

CAS: 70356-09-1 Formule moléculaire: C20H22O3 Poids moléculaire (g/mol): 310.39 Numéro MDL: MFCD00210252 Clé InChI: XNEFYCZVKIDDMS-UHFFFAOYSA-N Nom IUPAC: 1-(4-tert-butylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione SMILES: COC1=CC=C(C=C1)C(=O)CC(=O)C1=CC=C(C=C1)C(C)(C)C

Poids moléculaire (g/mol) 310.39
Numéro MDL MFCD00210252
CAS 70356-09-1
Nom IUPAC 1-(4-tert-butylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione
Clé InChI XNEFYCZVKIDDMS-UHFFFAOYSA-N
SMILES COC1=CC=C(C=C1)C(=O)CC(=O)C1=CC=C(C=C1)C(C)(C)C
Formule moléculaire C20H22O3
14

Paraffin, pure, wax, granular

CAS: 8002-74-2 Formule moléculaire: CnH2n+2 Poids moléculaire (g/mol): 341.451 Numéro MDL: MFCD00132833 Clé InChI: JWHAUXFOSRPERK-UHFFFAOYSA-N Synonyme: propafenone,rythmol,propafenona,propafenonum,propafenonum inn-latin,propafenona inn-spanish,propafenone inn:ban,gnf-pf-4594,propafenone-hcl,propafenone inn CID PubChem: 4932 ChEBI: CHEBI:63619 Nom IUPAC: 1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenylpropan-1-one SMILES: CCCNCC(COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O

Poids moléculaire (g/mol) 341.451
Synonyme propafenone,rythmol,propafenona,propafenonum,propafenonum inn-latin,propafenona inn-spanish,propafenone inn:ban,gnf-pf-4594,propafenone-hcl,propafenone inn
Numéro MDL MFCD00132833
CAS 8002-74-2
CID PubChem 4932
ChEBI CHEBI:63619
Nom IUPAC 1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenylpropan-1-one
Clé InChI JWHAUXFOSRPERK-UHFFFAOYSA-N
SMILES CCCNCC(COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O
Formule moléculaire CnH2n+2
15

Doxorubicin hydrochloride

CAS: 25316-40-9 Formule moléculaire: C27H30ClNO11 Poids moléculaire (g/mol): 579.98 Numéro MDL: MFCD00077757,MFCD00077757,MFCD00941448 Clé InChI: MWWSFMDVAYGXBV-FGBJBKNOSA-N Synonyme: doxorubicin hydrochloride,adriamycin,doxorubicin hcl,adriacin,adriblastina,rubex,adriamycin hydrochloride,adriblastin,adriamycin pfs CID PubChem: 129626538 Nom IUPAC: 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

Poids moléculaire (g/mol) 579.98
Synonyme doxorubicin hydrochloride,adriamycin,doxorubicin hcl,adriacin,adriblastina,rubex,adriamycin hydrochloride,adriblastin,adriamycin pfs
Numéro MDL MFCD00077757,MFCD00077757,MFCD00941448
CAS 25316-40-9
CID PubChem 129626538
Nom IUPAC 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
Clé InChI MWWSFMDVAYGXBV-FGBJBKNOSA-N
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
Formule moléculaire C27H30ClNO11