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Phenylpropanoids and polyketides

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 (481)
Coumarins and derivatives (432)
Flavonoids (321)
Phenylpropanoic acids (318)
Linear 1 3-diarylpropanoids (223)
Depsides and depsidones (117)
Cinnamaldehydes (102)
Stilbenes (76)
Isoflavonoids (65)
Tetracyclines (40)
Cinnamyl alcohols (28)
Anthracyclines (22)
Isocoumarins and derivatives (22)
Dihydrocoumarins (14)
Macrolide lactams (14)
Macrolactams (7)
Macrolides and analogues (7)
Neoflavonoids (2)
Angucyclines (1)
Ochratoxins and related substances (1)

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1 – 15 of 1,539 results
1

Paraffin Oil Light, MilliporeSigma™
GSA_VA

CAS: 8012-95-1 Molecular Formula: MFCD00131611 Molecular Weight (g/mol): 0.00 MDL Number: MFCD00131611 InChI Key: FFNDMZIBVDSQFI-UHFFFAOYSA-N Synonym: delphinidin chloride,delphinidin,delphinidine,delphinidol,ephdine,delfinidol chloride,unii-em6md4aehe,ccris 2518,em6md4aehe,3,5,7-trihydroxy-2-3,4,5-trihydroxyphenyl benzopyrylium chloride PubChem CID: 68245 ChEBI: CHEBI:38701 IUPAC Name: 2-(3,4,5-trihydroxyphenyl)chromenylium-3,5,7-triol;chloride SMILES: *

EDGE
PubChem CID 68245
CAS 8012-95-1
Molecular Weight (g/mol) 0.00
ChEBI CHEBI:38701
MDL Number MFCD00131611
SMILES *
Synonym delphinidin chloride,delphinidin,delphinidine,delphinidol,ephdine,delfinidol chloride,unii-em6md4aehe,ccris 2518,em6md4aehe,3,5,7-trihydroxy-2-3,4,5-trihydroxyphenyl benzopyrylium chloride
IUPAC Name 2-(3,4,5-trihydroxyphenyl)chromenylium-3,5,7-triol;chloride
InChI Key FFNDMZIBVDSQFI-UHFFFAOYSA-N
Molecular Formula MFCD00131611
2

Quercetin, Tocris Bioscience™
GREENER_CHOICE

CAS: 117-39-5 Molecular Formula: C15H10O7 Molecular Weight (g/mol): 302.238 InChI Key: REFJWTPEDVJJIY-UHFFFAOYSA-N Synonym: quercetin,sophoretin,meletin,xanthaurine,quercetine,quercetol,quercitin,quertine,3,3',4',5,7-pentahydroxyflavone,2-3,4-dihydroxyphenyl-3,5,7-trihydroxy-4h-chromen-4-one PubChem CID: 5280343 ChEBI: CHEBI:16243 IUPAC Name: 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O

PubChem CID 5280343
CAS 117-39-5
Molecular Weight (g/mol) 302.238
ChEBI CHEBI:16243
SMILES C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O
Synonym quercetin,sophoretin,meletin,xanthaurine,quercetine,quercetol,quercitin,quertine,3,3',4',5,7-pentahydroxyflavone,2-3,4-dihydroxyphenyl-3,5,7-trihydroxy-4h-chromen-4-one
IUPAC Name 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one
InChI Key REFJWTPEDVJJIY-UHFFFAOYSA-N
Molecular Formula C15H10O7
3

Cinanserin hydrochloride, Tocris Bioscience™
GREENER_CHOICE

CAS: 54-84-2 Molecular Formula: C20H25ClN2OS Molecular Weight (g/mol): 376.943 InChI Key: LXGJPDKYMJJWRB-IERUDJENSA-N Synonym: cinanserin hydrochloride,cinnanserin,maptc,cinanserin hcl,unii-f65z32ki62,cinanserin hydrochloride usan,2'-3-dimethylamino propyl thio cinnamanilide hydrochloride,2'-3-dimethylamino propyl thio cinnamanilide monohydrochloride,2-propenamide, n-2-3-dimethylamino propyl thio phenyl-3-phenyl-, monohydrochloride PubChem CID: 6433141 IUPAC Name: (E)-N-[2-[3-(dimethylamino)propylsulfanyl]phenyl]-3-phenylprop-2-enamide;hydrochloride SMILES: CN(C)CCCSC1=CC=CC=C1NC(=O)C=CC2=CC=CC=C2.Cl

PubChem CID 6433141
CAS 54-84-2
Molecular Weight (g/mol) 376.943
SMILES CN(C)CCCSC1=CC=CC=C1NC(=O)C=CC2=CC=CC=C2.Cl
Synonym cinanserin hydrochloride,cinnanserin,maptc,cinanserin hcl,unii-f65z32ki62,cinanserin hydrochloride usan,2'-3-dimethylamino propyl thio cinnamanilide hydrochloride,2'-3-dimethylamino propyl thio cinnamanilide monohydrochloride,2-propenamide, n-2-3-dimethylamino propyl thio phenyl-3-phenyl-, monohydrochloride
IUPAC Name (E)-N-[2-[3-(dimethylamino)propylsulfanyl]phenyl]-3-phenylprop-2-enamide;hydrochloride
InChI Key LXGJPDKYMJJWRB-IERUDJENSA-N
Molecular Formula C20H25ClN2OS
4

AG 490, Tocris Bioscience™
GREENER_CHOICE

CAS: 133550-30-8 Molecular Formula: C17H14N2O3 Molecular Weight (g/mol): 294.31 InChI Key: TUCIOBMMDDOEMM-RIYZIHGNSA-N PubChem CID: 5328779 IUPAC Name: (E)-N-benzyl-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide SMILES: C1=CC=C(C=C1)CNC(=O)C(=CC2=CC(=C(C=C2)O)O)C#N

PubChem CID 5328779
CAS 133550-30-8
Molecular Weight (g/mol) 294.31
SMILES C1=CC=C(C=C1)CNC(=O)C(=CC2=CC(=C(C=C2)O)O)C#N
IUPAC Name (E)-N-benzyl-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide
InChI Key TUCIOBMMDDOEMM-RIYZIHGNSA-N
Molecular Formula C17H14N2O3
5

PSC 833, Tocris Bioscience™
GREENER_CHOICE

CAS: 121584-18-7 Molecular Formula: C63H111N11O12 Molecular Weight (g/mol): 1214.65 MDL Number: MFCD00907207 InChI Key: YJDYDFNKCBANTM-QCWCSKBGSA-N Synonym: valspodar,amdray,sdz psc 833,sdz-psc-833,3'-keto-bmt 1-val 2-cyclosporin a,unii-q7zp55kf3x,amdray tn,valspodar usan/inn,q7zp55kf3x,sdz-psc 833 PubChem CID: 5281884 ChEBI: CHEBI:8985 IUPAC Name: (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-1,4,7,10,12,15,19,25,28-nonamethyl-33-[(2R,4E)-2-methylhex-4-enoyl]-6,9,18,24-tetrakis(2-methylpropyl)-3,21,30-tris(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecone SMILES: C\C=C\C[C@@H](C)C(=O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@@H](NC1=O)C(C)C)C(C)C

PubChem CID 5281884
CAS 121584-18-7
Molecular Weight (g/mol) 1214.65
ChEBI CHEBI:8985
MDL Number MFCD00907207
SMILES C\C=C\C[C@@H](C)C(=O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@@H](NC1=O)C(C)C)C(C)C
Synonym valspodar,amdray,sdz psc 833,sdz-psc-833,3'-keto-bmt 1-val 2-cyclosporin a,unii-q7zp55kf3x,amdray tn,valspodar usan/inn,q7zp55kf3x,sdz-psc 833
IUPAC Name (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-1,4,7,10,12,15,19,25,28-nonamethyl-33-[(2R,4E)-2-methylhex-4-enoyl]-6,9,18,24-tetrakis(2-methylpropyl)-3,21,30-tris(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecone
InChI Key YJDYDFNKCBANTM-QCWCSKBGSA-N
Molecular Formula C63H111N11O12
6

Camostat mesylate, Tocris Bioscience™
GREENER_CHOICE

CAS: 59721-29-8 Molecular Formula: C21H26N4O8S Molecular Weight (g/mol): 494.52 MDL Number: MFCD00941410 InChI Key: FSEKIHNIDBATFG-UHFFFAOYSA-N Synonym: camostat mesylate,camostat mesilate,camostat methanesulfonate,camostat monomethanesulfonate,foipan,unii-451m50a1eq,dsstox_cid_238,dsstox_rid_75452,dsstox_gsid_20238 PubChem CID: 5284360 IUPAC Name: 4-{2-[(dimethylcarbamoyl)methoxy]-2-oxoethyl}phenyl 4-[(diaminomethylidene)amino]benzoate; methanesulfonic acid SMILES: CS(O)(=O)=O.CN(C)C(=O)COC(=O)CC1=CC=C(OC(=O)C2=CC=C(C=C2)N=C(N)N)C=C1

PubChem CID 5284360
CAS 59721-29-8
Molecular Weight (g/mol) 494.52
MDL Number MFCD00941410
SMILES CS(O)(=O)=O.CN(C)C(=O)COC(=O)CC1=CC=C(OC(=O)C2=CC=C(C=C2)N=C(N)N)C=C1
Synonym camostat mesylate,camostat mesilate,camostat methanesulfonate,camostat monomethanesulfonate,foipan,unii-451m50a1eq,dsstox_cid_238,dsstox_rid_75452,dsstox_gsid_20238
IUPAC Name 4-{2-[(dimethylcarbamoyl)methoxy]-2-oxoethyl}phenyl 4-[(diaminomethylidene)amino]benzoate; methanesulfonic acid
InChI Key FSEKIHNIDBATFG-UHFFFAOYSA-N
Molecular Formula C21H26N4O8S
7

4EGI-1, Tocris Bioscience™
GSA_VA GREENER_CHOICE

CAS: 315706-13-9 Molecular Formula: C18H12Cl2N4O4S Molecular Weight (g/mol): 451.28 MDL Number: MFCD02330020 InChI Key: KFRKRECSIYXARE-UHFFFAOYSA-N Synonym: 2e-2-2-4-3,4-dichlorophenyl-1,3-thiazol-2-yl hydrazin-1-ylidene-3-2-nitrophenyl propanoic acid,2z-2-4-3,4-dichlorophenyl-1,3-thiazol-2-yl hydrazinylidene-3-2-nitrophenyl propanoic acid,2-4-3,4-dichlorophenyl thiazol-2 3h-ylidene hydrazono-3-2-nitrophenyl propanoic acid PubChem CID: 6911989 IUPAC Name: 2-{2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazin-1-ylidene}-3-(2-nitrophenyl)propanoic acid SMILES: OC(=O)C(CC1=CC=CC=C1[N+]([O-])=O)=NNC1=NC(=CS1)C1=CC(Cl)=C(Cl)C=C1

PubChem CID 6911989
CAS 315706-13-9
Molecular Weight (g/mol) 451.28
MDL Number MFCD02330020
SMILES OC(=O)C(CC1=CC=CC=C1[N+]([O-])=O)=NNC1=NC(=CS1)C1=CC(Cl)=C(Cl)C=C1
Synonym 2e-2-2-4-3,4-dichlorophenyl-1,3-thiazol-2-yl hydrazin-1-ylidene-3-2-nitrophenyl propanoic acid,2z-2-4-3,4-dichlorophenyl-1,3-thiazol-2-yl hydrazinylidene-3-2-nitrophenyl propanoic acid,2-4-3,4-dichlorophenyl thiazol-2 3h-ylidene hydrazono-3-2-nitrophenyl propanoic acid
IUPAC Name 2-{2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazin-1-ylidene}-3-(2-nitrophenyl)propanoic acid
InChI Key KFRKRECSIYXARE-UHFFFAOYSA-N
Molecular Formula C18H12Cl2N4O4S
8

Curcumin, Certified Reference Material, MilliporeSigma™ Supelco™

Pharmaceutical secondary standards for application in quality control. Provides pharma laboratories and manufacturers with a convenient, and cost-effective alternative to the preparation of in-house working standards.

9

Genistein, Tocris Bioscience™
GREENER_CHOICE

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)-4H-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)-4H-chromen-4-one
InChI Key TZBJGXHYKVUXJN-UHFFFAOYSA-N
Molecular Formula C15H10O5
10

Curcumin, Spectrum™ Chemical
SDP

CAS: 458-37-7

CAS 458-37-7
11

Ferulic Acid, Powder, Spectrum™ Chemical
SDP

CAS: 1135-24-6

CAS 1135-24-6
12

Wax Paraffin, White, Cake, Spectrum™ Chemical
SDP

CAS: 8002-74-2 Molecular Formula: C21H27NO3 Molecular Weight (g/mol): 341.45 InChI Key: JWHAUXFOSRPERK-UHFFFAOYNA-N IUPAC Name: 1-{2-[2-hydroxy-3-(propylamino)propoxy]phenyl}-3-phenylpropan-1-one SMILES: CCCNCC(O)COC1=CC=CC=C1C(=O)CCC1=CC=CC=C1

CAS 8002-74-2
Molecular Weight (g/mol) 341.45
SMILES CCCNCC(O)COC1=CC=CC=C1C(=O)CCC1=CC=CC=C1
IUPAC Name 1-{2-[2-hydroxy-3-(propylamino)propoxy]phenyl}-3-phenylpropan-1-one
InChI Key JWHAUXFOSRPERK-UHFFFAOYNA-N
Molecular Formula C21H27NO3
13

Quercetin, Dihydrate, Spectrum™ Chemical
SDP

CAS: 6151-25-3

CAS 6151-25-3
14

trans-Cinnamaldehyde, 98%, Spectrum™ Chemical
SDP

CAS: 14371-10-9

CAS 14371-10-9
15

Phenyl Salicylate, Crystal, Purified, 98%, Spectrum™ Chemical
SDP

CAS: 118-55-8

CAS 118-55-8