Coumaric acids and derivatives

Description:

Aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring.

Ancestors:

Organic compounds ⮕ Phenylpropanoids and polyketides ⮕ Cinnamic acids and derivatives ⮕ Hydroxycinnamic acids and derivatives ⮕ Coumaric acids and derivatives

ST 271
- 10mM in DMSO
Cas Number: 106392-48-7 Compound CID: 6439072

Formula: C₁₆H₂₀N₂O₂ Molecular Weight: 272.34

IUPAC Name: (E)-2-cyano-3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]prop-2-enamide

SMILES: CC(C)C1=CC(=CC(=C1O)C(C)C)C=C(C#N)C(=O)N

InChIKey: HMLQHJRJKQDTKW-LFYBBSHMSA-N

InChI: InChI=1S/C16H20N2O2/c1-9(2)13-6-11(5-12(8-17)16(18)20)7-14(10(3)4)15(13)19/h5-7,9-10,19H,1-4H3,(H2,18,20)/b12-5+

Synonyms: 106392-48-7|ST271|ST 271|ST-271|(E)-2-cyano-3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]prop-2-enamide|2-Propenamide, 2-cy...
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SU1498
- 10mM in DMSO
Cas Number: 168835-82-3 Compound CID: 5941539

Formula: C₂₅H₃₀N₂O₂ Molecular Weight: 390.52

IUPAC Name: (E)-2-cyano-3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-N-(3-phenylpropyl)prop-2-enamide

SMILES: CC(C)C1=CC(=CC(=C1O)C(C)C)C=C(C#N)C(=O)NCCCC2=CC=CC=C2

InChIKey: JANPYFTYAGTSIN-FYJGNVAPSA-N

InChI: InChI=1S/C25H30N2O2/c1-17(2)22-14-20(15-23(18(3)4)24(22)28)13-21(16-26)25(29)27-12-8-11-19-9-6-5-7-10-19/h5-7,9-10,13-15,17-18,28H,8,11-12H2,1-4H3,(H,show more

Synonyms: su1498|168835-82-3|(E)-2-CYANO-3-(4-HYDROXY-3,5-DIISOPROPYLPHENYL)-N-(3-PHENYLPROPYL)ACRYLAMIDE|SU-1498|SU 1498|Tyrph...
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ST 271
- ≥98%
Cas Number: 106392-48-7 Compound CID: 6439072

Formula: C₁₆H₂₀N₂O₂ Molecular Weight: 272.34

IUPAC Name: (E)-2-cyano-3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]prop-2-enamide

SMILES: CC(C)C1=CC(=CC(=C1O)C(C)C)C=C(C#N)C(=O)N

InChIKey: HMLQHJRJKQDTKW-LFYBBSHMSA-N

InChI: InChI=1S/C16H20N2O2/c1-9(2)13-6-11(5-12(8-17)16(18)20)7-14(10(3)4)15(13)19/h5-7,9-10,19H,1-4H3,(H2,18,20)/b12-5+

Synonyms: ST 271 | ST-271; ST 271 | HY-103097 | 2-Propenamide, 2-cyano-3-(4-hydroxy-3,5-bis(1-methylethyl)phenyl)- | BCP20728 |...
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Rosmarinic acid
- 10mM in DMSO
Cas Number: 20283-92-5 Compound CID: 5281792

Formula: C₁₈H₁₆O₈ Molecular Weight: 360.31

IUPAC Name: (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoic acid

SMILES: OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c2ccc(O)c(O)c2

InChIKey: DOUMFZQKYFQNTF-WUTVXBCWSA-N

InChI: InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1

Synonyms: rosmarinic acid|20283-92-5|Rosemary acid|Labiatenic acid|Rosmarinicacid|Labiatic acid|(R)-rosmarinic acid|trans-Rosma...
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Plantamajoside
- 10mM in DMSO
Cas Number: 104777-68-6 Compound CID: 5281788

Formula: C₂₉H₃₆O₁₆ Molecular Weight: 640.59

IUPAC Name: [(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxashow more

SMILES: C1=CC(=C(C=C1CCOC2C(C(C(C(O2)CO)OC(=O)C=CC3=CC(=C(C=C3)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O)O

InChIKey: KFEFLPDKISUVNR-QJEHNBJNSA-N

InChI: InChI=1S/C29H36O16/c30-11-19-22(37)23(38)24(39)29(42-19)45-27-25(40)28(41-8-7-14-2-5-16(33)18(35)10-14)43-20(12-31)26(27)44-21(36)6-3-13-1-4-15(32)17(show more

Synonyms: Plantamajoside|104777-68-6|Y0160|C10485|Purpureaside A|(2R,3R,4R,5R,6R)-6-(3,4-dihydroxyphenethoxy)-5-hydroxy-2-(hydr...
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Plantamajoside
- ≥98%
Cas Number: 104777-68-6 Compound CID: 5281788

Formula: C₂₉H₃₆O₁₆ Molecular Weight: 640.59

IUPAC Name: [(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxashow more

SMILES: C1=CC(=C(C=C1CCOC2C(C(C(C(O2)CO)OC(=O)C=CC3=CC(=C(C=C3)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O)O

InChIKey: KFEFLPDKISUVNR-QJEHNBJNSA-N

InChI: InChI=1S/C29H36O16/c30-11-19-22(37)23(38)24(39)29(42-19)45-27-25(40)28(41-8-7-14-2-5-16(33)18(35)10-14)43-20(12-31)26(27)44-21(36)6-3-13-1-4-15(32)17(show more

Synonyms: DTXSID301317348 | Purpureaside A | Q27108018 | CCG-270318 | AC1NQZ35 | Plantamajoside | Plantamoside | (E)-(2R,3R,4R,...
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Methyl trans-3,4,5-trimethoxycinnamate
Cas Number: 20329-96-8

Formula: C₁₃H₁₆O₅ Molecular Weight: 252.27

IUPAC Name: methyl (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate

SMILES: COC1=CC(=CC(=C1OC)OC)C=CC(=O)OC

InChIKey: KLXHCGFNNUQTEY-AATRIKPKSA-N

InChI: InChI=1S/C13H16O5/c1-15-10-7-9(5-6-12(14)17-3)8-11(16-2)13(10)18-4/h5-8H,1-4H3/b6-5+

Synonyms: 3,4,5-Trimethoxybenzeneacrylic acid methyl ester | (E)-Methyl3-(3,4,5-trimethoxyphenyl)acrylate | methyl (E)-3-(3,4,5...

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Isoacteoside
- ≥98%
Cas Number: 61303-13-7

Formula: C₂₉H₃₆O₁₅ Molecular Weight: 624.59

IUPAC Name: [(2R,3R,4S,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(3,show more

SMILES: CC1C(C(C(C(O1)OC2C(C(OC(C2O)OCCC3=CC(=C(C=C3)O)O)COC(=O)C=CC4=CC(=C(C=C4)O)O)O)O)O)O

InChIKey: FNMHEHXNBNCPCI-QEOJJFGVSA-N

InChI: InChI=1S/C29H36O15/c1-13-22(35)24(37)25(38)29(42-13)44-27-23(36)20(12-41-21(34)7-4-14-2-5-16(30)18(32)10-14)43-28(26(27)39)40-9-8-15-3-6-17(31)19(33)1show more

Synonyms: isoverbascoside | Isoacteoside | iso-acteoside | CCG-270268 | MFCD06798947 | Verbascoside,(S) | SCHEMBL151396 | Isoac...
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Forsythoside A
- 10mM in DMSO
Cas Number: 79916-77-1

Formula: C₂₉H₃₆O₁₅ Molecular Weight: 624.59

IUPAC Name: [(2R,3S,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-2-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(show more

SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCCC3=CC(=C(C=C3)O)O)O)O)OC(=O)C=CC4=CC(=C(C=C4)O)O)O)O)O

InChIKey: DTOUWTJYUCZJQD-UJERWXFOSA-N

InChI: InChI=1S/C29H36O15/c1-13-22(35)23(36)25(38)29(42-13)41-12-20-27(44-21(34)7-4-14-2-5-16(30)18(32)10-14)24(37)26(39)28(43-20)40-9-8-15-3-6-17(31)19(33)1show more

Synonyms: MFCD08460220 | A854587 | Q27106670 | CCG-270267 | SureCN3318896 | .BETA.-D-GLUCOPYRANOSIDE, 2-(3,4-DIHYDROXYPHENYL)ET...
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Ferulic acid methyl ester
- 10mM in DMSO
Cas Number: 2309-07-1

Formula: C₁₁H₁₂O₄ Molecular Weight: 208.21

IUPAC Name: methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

SMILES: COC1=C(C=CC(=C1)C=CC(=O)OC)O

InChIKey: AUJXJFHANFIVKH-GQCTYLIASA-N

InChI: InChI=1S/C11H12O4/c1-14-10-7-8(3-5-9(10)12)4-6-11(13)15-2/h3-7,12H,1-2H3/b6-4+

Synonyms: Methyl ferulate|Ferulic acid methyl ester|2309-07-1|methyl 3-(4-hydroxy-3-methoxyphenyl)acrylate|22329-76-6|methyl 4-...
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Ferulic Acid Ethyl Ester
- 10mM in DMSO
Cas Number: 4046-02-0 EC Number: 223-745-5

Formula: C₁₂H₁₄O₄ Molecular Weight: 222.24

IUPAC Name: ethyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

SMILES: CCOC(=O)C=CC1=CC(=C(C=C1)O)OC

InChIKey: ATJVZXXHKSYELS-FNORWQNLSA-N

InChI: InChI=1S/C12H14O4/c1-3-16-12(14)7-5-9-4-6-10(13)11(8-9)15-2/h4-8,13H,3H2,1-2H3/b7-5+

Synonyms: Ethyl ferulate|4046-02-0|Ferulic acid ethyl ester|ethyl 3-(4-hydroxy-3-methoxyphenyl)acrylate|Ethyl 4'-hydroxy-3'-met...
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Ethyl caffeate
- 10mM in DMSO
Cas Number: 102-37-4

Formula: C₁₁H₁₂O₄ Molecular Weight: 208.21

IUPAC Name: ethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

SMILES: CCOC(=O)C=CC1=CC(=C(C=C1)O)O

InChIKey: WDKYDMULARNCIS-GQCTYLIASA-N

InChI: InChI=1S/C11H12O4/c1-2-15-11(14)6-4-8-3-5-9(12)10(13)7-8/h3-7,12-13H,2H2,1H3/b6-4+

Synonyms: Ethyl caffeate|102-37-4|66648-50-8|Ethyl 3,4-dihydroxycinnamate|Ethyl 3-(3,4-dihydroxyphenyl)acrylate|ethyl trans-caf...
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