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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 (174)
Phenylpropanoic acids (133)
Coumarins and derivatives (113)
Cinnamic acids and derivatives (98)
Tetracyclines (53)
Isoflavonoids (48)
Macrolide lactams (39)
Diarylheptanoids (38)
Macrolactams (31)
Stilbenes (29)
Cinnamaldehydes (27)
Depsides and depsidones (24)
Anthracyclines (22)
Linear 1 3-diarylpropanoids (20)
Tannins (19)
Macrolides and analogues (8)
Cinnamyl alcohols (6)
Isocoumarins and derivatives (6)
Ochratoxins and related substances (6)
Dihydrocoumarins (3)
Angucyclines (2)

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1 – 15 of 354 results
1

Kaempferol, TRC

CAS: 520-18-3 Molecular Formula: C15 H10 O6 Molecular Weight (g/mol): 286.24 Synonym: Flavone, 3,4',5,7-tetrahydroxy- (7CI,8CI),3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one,3,4',5,7-Tetrahydroxyflavone,3,5,7,4'-Tetrahydroxyflavone,3'-Deoxyquercetin,5,7,4'-Trihydroxyflavonol,C.I. 75640,CSU 2056,Indigo Yellow,Kaemferol,Kaempferol,Kaempherol,Kampcetin,Kempferol,NSC 407289,NSC 656277,Nimbecetin,Pelargidenolon,Pelargidenon,Populnetin,Rhamnolutein,Rhamnolutin,Robigenin,Swartziol,Trifolitin IUPAC Name: 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one SMILES: OC1=C(Oc2cc(O)cc(O)c2C1=O)c3ccc(O)cc3

CAS 520-18-3
Molecular Weight (g/mol) 286.24
SMILES OC1=C(Oc2cc(O)cc(O)c2C1=O)c3ccc(O)cc3
Synonym Flavone, 3,4',5,7-tetrahydroxy- (7CI,8CI),3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one,3,4',5,7-Tetrahydroxyflavone,3,5,7,4'-Tetrahydroxyflavone,3'-Deoxyquercetin,5,7,4'-Trihydroxyflavonol,C.I. 75640,CSU 2056,Indigo Yellow,Kaemferol,Kaempferol,Kaempherol,Kampcetin,Kempferol,NSC 407289,NSC 656277,Nimbecetin,Pelargidenolon,Pelargidenon,Populnetin,Rhamnolutein,Rhamnolutin,Robigenin,Swartziol,Trifolitin
IUPAC Name 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Molecular Formula C15 H10 O6
2

(+)-Catechin, TRC

CAS: 154-23-4 Molecular Formula: C15 H14 O6 Molecular Weight (g/mol): 290.27 Synonym: (+)-Catechin,2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R-trans)-,Catechol (8CI),(2R,3S)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol,(+)-(2R,3S)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol,(+)-(2R:3S)-5,7,3',4'-Tetrahydroxyflavan-3-ol,(+)-3',4',5,7-Tetrahydroxy-2,3-trans-flavan-3-ol,(+)-Catechin,(+)-Catechol,(+)-Cianidanol,(+)-Cyanidan-3-ol,(+)-Cyanidanol,(+)-Cyanidanol-3,(2R,3S)-(+)-Catechin,3-Cyanidanol, (+)-,Biocatechin,Catechin,Catechin (flavan),Catechinic acid,Catechol (flavan),Catechuic acid,Catergen,Cianidanol,Cyanidanol,Cyanidol,D-(+)-Catechin,D-Catechin,D-Catechol,Dexcyanidanol,HB-MC-TS 35,NSC 2819,P 70A,Sunkatol No. 1,Sunphenon 90,Teafuran 30A,Teafuran 30E,d-Catechin,trans-(+)-3,3',4',5,7-Flavanpentol IUPAC Name: (2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol SMILES: O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3ccc(O)c(O)c3

CAS 154-23-4
Molecular Weight (g/mol) 290.27
SMILES O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3ccc(O)c(O)c3
Synonym (+)-Catechin,2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R-trans)-,Catechol (8CI),(2R,3S)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol,(+)-(2R,3S)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol,(+)-(2R:3S)-5,7,3',4'-Tetrahydroxyflavan-3-ol,(+)-3',4',5,7-Tetrahydroxy-2,3-trans-flavan-3-ol,(+)-Catechin,(+)-Catechol,(+)-Cianidanol,(+)-Cyanidan-3-ol,(+)-Cyanidanol,(+)-Cyanidanol-3,(2R,3S)-(+)-Catechin,3-Cyanidanol, (+)-,Biocatechin,Catechin,Catechin (flavan),Catechinic acid,Catechol (flavan),Catechuic acid,Catergen,Cianidanol,Cyanidanol,Cyanidol,D-(+)-Catechin,D-Catechin,D-Catechol,Dexcyanidanol,HB-MC-TS 35,NSC 2819,P 70A,Sunkatol No. 1,Sunphenon 90,Teafuran 30A,Teafuran 30E,d-Catechin,trans-(+)-3,3',4',5,7-Flavanpentol
IUPAC Name (2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
Molecular Formula C15 H14 O6
3

Quercetin, TRC

CAS: 117-39-5 Molecular Formula: C15 H10 O7 Molecular Weight (g/mol): 302.24 Synonym: 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-,Flavone, 3,3',4',5,7-pentahydroxy- (7CI,8CI),Flavone, 3,4',5,5',7-pentahydroxy- (6CI),2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one,2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-benzopyran-4-one,3,3',4',5,7-Pentahydroxyflavone,3,5,7,3',4'-Pentahydroxyflavone,3,5,7-Trihydroxy-2-(3,4-dihydroxyphenyl)-4H-chromen-4-one,3'-Hydroxykaempferol,C.I. 75670,Corvitin,Cyanidelonon 1522,Korvitin,LDN 0052529,Lipoflavon,Meletin,NSC 57655,NSC 9219,Quercetin,Quercetine,Quercetol,Quertin,Quertine,Sophoretin,Xanthaurine IUPAC Name: 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one SMILES: OC1=C(Oc2cc(O)cc(O)c2C1=O)c3ccc(O)c(O)c3

CAS 117-39-5
Molecular Weight (g/mol) 302.24
SMILES OC1=C(Oc2cc(O)cc(O)c2C1=O)c3ccc(O)c(O)c3
Synonym 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-,Flavone, 3,3',4',5,7-pentahydroxy- (7CI,8CI),Flavone, 3,4',5,5',7-pentahydroxy- (6CI),2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one,2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-benzopyran-4-one,3,3',4',5,7-Pentahydroxyflavone,3,5,7,3',4'-Pentahydroxyflavone,3,5,7-Trihydroxy-2-(3,4-dihydroxyphenyl)-4H-chromen-4-one,3'-Hydroxykaempferol,C.I. 75670,Corvitin,Cyanidelonon 1522,Korvitin,LDN 0052529,Lipoflavon,Meletin,NSC 57655,NSC 9219,Quercetin,Quercetine,Quercetol,Quertin,Quertine,Sophoretin,Xanthaurine
IUPAC Name 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one
Molecular Formula C15 H10 O7
4

(+)-Gallocatechin, TRC

CAS: 970-73-0 Molecular Formula: C15H14O7 Molecular Weight (g/mol): 306.27 Synonym: 2H-1-Benzopyran-3,5,7-triol, 3,4-dihydro-2-(3,4,5-trihydroxyphenyl)-, (2R-trans)-,Gallocatechol (8CI),Gallocatechol, d- (6CI),(2R,3S)-3,4-Dihydro-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3,5,7-triol,(+)-Gallocatechin,(+)-Gallocatechol,(2R,3S)-(+)-Gallocatechin,Gallocatechin,NSC 674038,Sunphenon EGC-OP,d-Gallocatechin,Gallocatechol,(+)-gallocatechol,D-Gallocatechin; IUPAC Name: (2R,3S)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol SMILES: O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3cc(O)c(O)c(O)c3

CAS 970-73-0
Molecular Weight (g/mol) 306.27
SMILES O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3cc(O)c(O)c(O)c3
Synonym 2H-1-Benzopyran-3,5,7-triol, 3,4-dihydro-2-(3,4,5-trihydroxyphenyl)-, (2R-trans)-,Gallocatechol (8CI),Gallocatechol, d- (6CI),(2R,3S)-3,4-Dihydro-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3,5,7-triol,(+)-Gallocatechin,(+)-Gallocatechol,(2R,3S)-(+)-Gallocatechin,Gallocatechin,NSC 674038,Sunphenon EGC-OP,d-Gallocatechin,Gallocatechol,(+)-gallocatechol,D-Gallocatechin;
IUPAC Name (2R,3S)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
Molecular Formula C15H14O7
5

Pinobanksin, TRC

CAS: 548-82-3 Molecular Formula: C15H12O5 Molecular Weight (g/mol): 272.25 Synonym: (2R,3R)-2,3-Dihydro-3,5,7-trihydroxy-2-phenyl-4H-1-benzopyran-4-one,(2R-trans)-2,3-Dihydro-3,5,7-trihydroxy-2-phenyl-4H-1-benzopyran-4-one,3,5,7-Trihydroxyflavanone,(2R,3R)-Pinobanksin,3,5,7-Trihydroxyflavanone,Dihydrogalangin IUPAC Name: (2R,3R)-3,5,7-trihydroxy-2-phenyl-2,3-dihydrochromen-4-one SMILES: O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c3ccccc3

CAS 548-82-3
Molecular Weight (g/mol) 272.25
SMILES O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c3ccccc3
Synonym (2R,3R)-2,3-Dihydro-3,5,7-trihydroxy-2-phenyl-4H-1-benzopyran-4-one,(2R-trans)-2,3-Dihydro-3,5,7-trihydroxy-2-phenyl-4H-1-benzopyran-4-one,3,5,7-Trihydroxyflavanone,(2R,3R)-Pinobanksin,3,5,7-Trihydroxyflavanone,Dihydrogalangin
IUPAC Name (2R,3R)-3,5,7-trihydroxy-2-phenyl-2,3-dihydrochromen-4-one
Molecular Formula C15H12O5
6

Linarine, TRC

CAS: 480-36-4 Molecular Formula: C28 H32 O14 Molecular Weight (g/mol): 592.545 Synonym: Linarin,4H-1-Benzopyran-4-one, 7-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-5-hydroxy-2-(4-methoxyphenyl)-,Linarin (6CI,7CI,8CI),5-Hydroxy-4'-methoxyflavone-7-O-rutinoside,7-[[6-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-5- IUPAC Name: 5-hydroxy-2-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one SMILES: COc1ccc(cc1)C2=CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3O2

CAS 480-36-4
Molecular Weight (g/mol) 592.545
SMILES COc1ccc(cc1)C2=CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3O2
Synonym Linarin,4H-1-Benzopyran-4-one, 7-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-5-hydroxy-2-(4-methoxyphenyl)-,Linarin (6CI,7CI,8CI),5-Hydroxy-4'-methoxyflavone-7-O-rutinoside,7-[[6-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-5-
IUPAC Name 5-hydroxy-2-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
Molecular Formula C28 H32 O14
7

Curcumin, TRC

CAS: 458-37-7 Molecular Formula: C21 H20 O6 Molecular Weight (g/mol): 368.38 Synonym: 1,6-Heptadiene-3,5-dione, 1,7-bis(4-hydroxy-3-methoxyphenyl)-, (E,E)- (8CI),Curcumin (6CI),(1E,6E)-1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione,(E)-1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione,(E,E)-1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione,BR 213,Biocurcumax,C Yellow 15,C.I. 75300,C.I. Natural Yellow 3,Colorant E 100,Curcuma,Curcumax,Curcumin I,Curcumin W,Curcumine,Cureit,Diferuloylmethane,E 100,E 100 (dye),Haidr,Halad,Haldar,Halud,INS 100i,Indian Saffron,Jianghuangsu,Kacha Haldi,Kiriyasu Oil Yellow U,Lipocurc,Longvida,Merita Earth,NSC 32982,NanoCurc,Natural Yellow 3,Natxtra,San-Ei Curcumine AL,San-Ei Gen Curcumine AL,Souchet,Terra Merita,Theracurmin,Theracurmin CR 011L,Turmeric,Turmeric (dye),Turmeric yellow,Ukon,Ukon (dye),Vacurin,Yellow Ginger,Yellow Root,Yo-Kin,trans,trans-Curcumin IUPAC Name: (1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione SMILES: COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O

CAS 458-37-7
Molecular Weight (g/mol) 368.38
SMILES COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O
Synonym 1,6-Heptadiene-3,5-dione, 1,7-bis(4-hydroxy-3-methoxyphenyl)-, (E,E)- (8CI),Curcumin (6CI),(1E,6E)-1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione,(E)-1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione,(E,E)-1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione,BR 213,Biocurcumax,C Yellow 15,C.I. 75300,C.I. Natural Yellow 3,Colorant E 100,Curcuma,Curcumax,Curcumin I,Curcumin W,Curcumine,Cureit,Diferuloylmethane,E 100,E 100 (dye),Haidr,Halad,Haldar,Halud,INS 100i,Indian Saffron,Jianghuangsu,Kacha Haldi,Kiriyasu Oil Yellow U,Lipocurc,Longvida,Merita Earth,NSC 32982,NanoCurc,Natural Yellow 3,Natxtra,San-Ei Curcumine AL,San-Ei Gen Curcumine AL,Souchet,Terra Merita,Theracurmin,Theracurmin CR 011L,Turmeric,Turmeric (dye),Turmeric yellow,Ukon,Ukon (dye),Vacurin,Yellow Ginger,Yellow Root,Yo-Kin,trans,trans-Curcumin
IUPAC Name (1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
Molecular Formula C21 H20 O6
8

Bergapten, TRC

CAS: 484-20-8 Molecular Formula: C12 H8 O4 Molecular Weight (g/mol): 216.19 Synonym: 7H-Furo[3,2-g][1]benzopyran-7-one, 4-methoxy-,4-Methoxy-7H-furo[3,2-g][1]benzopyran-7-one,5-MOP,5-Methoxy-6,7-furanocoumarin,5-Methoxypsoralen,8-Demethoxyisoimpinellin,Bergaptan,Bergapten,Bergaptene,Geralen,Heraclin,Majudin,NSC 95437,Psoraderm IUPAC Name: 4-methoxyfuro[3,2-g]chromen-7-one SMILES: COc1c2C=CC(=O)Oc2cc3occc13

CAS 484-20-8
Molecular Weight (g/mol) 216.19
SMILES COc1c2C=CC(=O)Oc2cc3occc13
Synonym 7H-Furo[3,2-g][1]benzopyran-7-one, 4-methoxy-,4-Methoxy-7H-furo[3,2-g][1]benzopyran-7-one,5-MOP,5-Methoxy-6,7-furanocoumarin,5-Methoxypsoralen,8-Demethoxyisoimpinellin,Bergaptan,Bergapten,Bergaptene,Geralen,Heraclin,Majudin,NSC 95437,Psoraderm
IUPAC Name 4-methoxyfuro[3,2-g]chromen-7-one
Molecular Formula C12 H8 O4
9

Everolimus, TRC

CAS: 159351-69-6 Molecular Formula: C53 H83 N O14 Molecular Weight (g/mol): 958.22 Synonym: Rapamycin, 42-O-(2-hydroxyethyl)-,23,27-Epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclohentriacontine, rapamycin deriv.,42-O-(2-Hydroxyethyl)rapamycin,40-O-(2-Hydroxyethyl)rapamycin,Afinitor,Afinitor Disperz,Certican,Everolimus,RAD,RAD 001,SDZ-RAD,XIENCE V,Xience,Zortress SMILES: C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OCCO)C)/C)O)OC)C)C)/C)OC

CAS 159351-69-6
Molecular Weight (g/mol) 958.22
SMILES C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OCCO)C)/C)O)OC)C)C)/C)OC
Synonym Rapamycin, 42-O-(2-hydroxyethyl)-,23,27-Epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclohentriacontine, rapamycin deriv.,42-O-(2-Hydroxyethyl)rapamycin,40-O-(2-Hydroxyethyl)rapamycin,Afinitor,Afinitor Disperz,Certican,Everolimus,RAD,RAD 001,SDZ-RAD,XIENCE V,Xience,Zortress
Molecular Formula C53 H83 N O14
10

Cinromide, TRC

CAS: 58473-74-8 Molecular Formula: C11H12BrNO Molecular Weight (g/mol): 254.12 Synonym: (2E)-3-(3-Bromophenyl)-N-ethyl-2-propenamide,(E)-3-(3-Bromophenyl)-N-ethyl-2-propenamide,BW 122U,Vumide IUPAC Name: (E)-3-(3-bromophenyl)-N-ethylprop-2-enamide SMILES: CCNC(=O)\C=C\c1cccc(Br)c1

CAS 58473-74-8
Molecular Weight (g/mol) 254.12
SMILES CCNC(=O)\C=C\c1cccc(Br)c1
Synonym (2E)-3-(3-Bromophenyl)-N-ethyl-2-propenamide,(E)-3-(3-Bromophenyl)-N-ethyl-2-propenamide,BW 122U,Vumide
IUPAC Name (E)-3-(3-bromophenyl)-N-ethylprop-2-enamide
Molecular Formula C11H12BrNO
11

Cinanserin, TRC

CAS: 1166-34-3 Molecular Formula: C20H24N2OS Molecular Weight (g/mol): 340.48 Synonym: N-[2-[[3-(Dimethylamino)propyl]thio]phenyl]-3-phenyl-2-propenamide,2'-[[3-(Dimethylamino)propyl]thio]cinnamanilide,Cinanserin,Cinanserine,2'-[[3-(Dimethylamino)propyl]thio]-cinnamanilide IUPAC Name: (E)-N-[2-[3-(dimethylamino)propylsulfanyl]phenyl]-3-phenylprop-2-enamide SMILES: CN(C)CCCSc1ccccc1NC(=O)\C=C\c2ccccc2

CAS 1166-34-3
Molecular Weight (g/mol) 340.48
SMILES CN(C)CCCSc1ccccc1NC(=O)\C=C\c2ccccc2
Synonym N-[2-[[3-(Dimethylamino)propyl]thio]phenyl]-3-phenyl-2-propenamide,2'-[[3-(Dimethylamino)propyl]thio]cinnamanilide,Cinanserin,Cinanserine,2'-[[3-(Dimethylamino)propyl]thio]-cinnamanilide
IUPAC Name (E)-N-[2-[3-(dimethylamino)propylsulfanyl]phenyl]-3-phenylprop-2-enamide
Molecular Formula C20H24N2OS
12

Resveratroloside, TRC

CAS: 38963-95-0 Molecular Formula: C20H22O8 Molecular Weight (g/mol): 390.38 Synonym: 4-[(1E)-2-(3,5-Dihydroxyphenyl)ethenyl]phenyl beta-D-Glucopyranoside,(E)-4-[2-(3,5-Dihydroxyphenyl)ethenyl]phenyl beta-D-Glucopyranoside,3,4',5-Trihydroxystilbene 4'-mono-beta-D-glycopyranoside,Resveratrol 4'-O-beta-D-glucopyranoside IUPAC Name: (3R,4S,5S,6R)-2-[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol SMILES: OC[C@H]1OC(Oc2ccc(\C=C\c3cc(O)cc(O)c3)cc2)[C@H](O)[C@@H](O)[C@@H]1O

CAS 38963-95-0
Molecular Weight (g/mol) 390.38
SMILES OC[C@H]1OC(Oc2ccc(\C=C\c3cc(O)cc(O)c3)cc2)[C@H](O)[C@@H](O)[C@@H]1O
Synonym 4-[(1E)-2-(3,5-Dihydroxyphenyl)ethenyl]phenyl beta-D-Glucopyranoside,(E)-4-[2-(3,5-Dihydroxyphenyl)ethenyl]phenyl beta-D-Glucopyranoside,3,4',5-Trihydroxystilbene 4'-mono-beta-D-glycopyranoside,Resveratrol 4'-O-beta-D-glucopyranoside
IUPAC Name (3R,4S,5S,6R)-2-[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Formula C20H22O8
13

Hidiosmin, TRC

CAS: 115960-14-0 Molecular Formula: C30H36O16 Molecular Weight (g/mol): 652.6 Synonym: 7-[[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-5-(2-hydroxyethoxy)-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one,5-O-(beta-Hydroxyethyl)diosmin IUPAC Name: 5-(2-hydroxyethoxy)-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one SMILES: COc1ccc(cc1O)C2=CC(=O)c3c(OCCO)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3O2

CAS 115960-14-0
Molecular Weight (g/mol) 652.6
SMILES COc1ccc(cc1O)C2=CC(=O)c3c(OCCO)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3O2
Synonym 7-[[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-5-(2-hydroxyethoxy)-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one,5-O-(beta-Hydroxyethyl)diosmin
IUPAC Name 5-(2-hydroxyethoxy)-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
Molecular Formula C30H36O16
14

Nitecapone, TRC

CAS: 116313-94-1 Molecular Formula: C12 H11 N O6 Molecular Weight (g/mol): 265.22 IUPAC Name: 3-[(3,4-dihydroxy-5-nitrophenyl)methylidene]pentane-2,4-dione SMILES: CC(=O)C(=Cc1cc(O)c(O)c(c1)[N+](=O)[O-])C(=O)C

CAS 116313-94-1
Molecular Weight (g/mol) 265.22
SMILES CC(=O)C(=Cc1cc(O)c(O)c(c1)[N+](=O)[O-])C(=O)C
IUPAC Name 3-[(3,4-dihydroxy-5-nitrophenyl)methylidene]pentane-2,4-dione
Molecular Formula C12 H11 N O6
15

Tranilast, TRC

CAS: 53902-12-8 Molecular Formula: C18 H17 N O5 Molecular Weight (g/mol): 327.33 Synonym: Tranilast - Bio-X TM IUPAC Name: 2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzoic acid SMILES: COc1ccc(\C=C\C(=O)Nc2ccccc2C(=O)O)cc1OC

CAS 53902-12-8
Molecular Weight (g/mol) 327.33
SMILES COc1ccc(\C=C\C(=O)Nc2ccccc2C(=O)O)cc1OC
Synonym Tranilast - Bio-X TM
IUPAC Name 2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzoic acid
Molecular Formula C18 H17 N O5