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

Tenuifoliside B
- ≥97%
Cas Number: 139726-36-6 Compound CID: 10055215

Formula: C₃₀H₃₆O₁₇ Molecular Weight: 668.6

IUPAC Name: [(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2S,3S,4R,5R)-4-hydroxy-3-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy-2,5-bis(hydroxymethyl)oxolan-2-show more

SMILES: COC1=CC(=CC(=C1O)OC)C=CC(=O)OC2C(C(OC2(CO)OC3C(C(C(C(O3)COC(=O)C4=CC=C(C=C4)O)O)O)O)CO)O

InChIKey: HBYKIOIUVMDUIK-GUJRDUPISA-N

InChI: InChI=1S/C30H36O17/c1-41-17-9-14(10-18(42-2)22(17)35)3-8-21(34)45-27-24(37)19(11-31)46-30(27,13-32)47-29-26(39)25(38)23(36)20(44-29)12-43-28(40)15-4-6show more
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Magnoloside A
- ≥98%
Cas Number: 113557-95-2 Compound CID: 73189372

IUPAC Name: [2-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-4-yl] 3-(3,4-dihydroxyphenyl)prop-2-enoatshow more

SMILES: CC1C(C(C(C(O1)OC2C(C(C(OC2OCCC3=CC(=C(C=C3)O)O)CO)O)OC(=O)C=CC4=CC(=C(C=C4)O)O)O)O)O

InChIKey: QLZWUGOYBODRLF-UHFFFAOYSA-N

InChI: InChI=1S/C29H36O15/c1-13-22(36)24(38)25(39)28(41-13)44-27-26(43-21(35)7-4-14-2-5-16(31)18(33)10-14)23(37)20(12-30)42-29(27)40-9-8-15-3-6-17(32)19(34)1show more
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Forsythoside I
- ≥98%
Cas Number: 1177581-50-8

Formula: C₂₉H₃₆O₁₅ Molecular Weight: 624.59

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

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

InChIKey: GKRBWXABVALDGQ-GCELSKRESA-N

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

Synonyms: (2R,3R,4S,5R,6R)-2-(3,4-Dihydroxyphenethoxy)-3,5-dihydroxy-6-((((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-...
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Glomeratose A
- ≥99%
Cas Number: 202471-84-9 Compound CID: 73157754

Formula: C₂₄H₃₄O₁₅ Molecular Weight: 562.5

IUPAC Name: [4-hydroxy-2,5-bis(hydroxymethyl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl] 3-(3,4,5-trimethoxyphenyl)prop-2-enoate

SMILES: COC1=CC(=CC(=C1OC)OC)C=CC(=O)OC2C(C(OC2(CO)OC3C(C(C(C(O3)CO)O)O)O)CO)O

InChIKey: PQHNJDATPYXLIX-UHFFFAOYSA-N

InChI: InChI=1S/C24H34O15/c1-33-12-6-11(7-13(34-2)21(12)35-3)4-5-16(28)37-22-18(30)15(9-26)38-24(22,10-27)39-23-20(32)19(31)17(29)14(8-25)36-23/h4-7,14-15,17show more
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p-Hydroxyphenethyl trans-ferulate
- ≥99%
Cas Number: 84873-15-4 Compound CID: 637308

Formula: C₁₈H₁₈O₅ Molecular Weight: 314.33

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

SMILES: COC1=C(C=CC(=C1)C=CC(=O)OCCC2=CC=C(C=C2)O)O

InChIKey: JMSFLLZUCIXALN-WEVVVXLNSA-N

InChI: InChI=1S/C18H18O5/c1-22-17-12-14(4-8-16(17)20)5-9-18(21)23-11-10-13-2-6-15(19)7-3-13/h2-9,12,19-20H,10-11H2,1H3/b9-5+

Synonyms: BCP16493 | p-Hydroxyphenethyl trans-ferulate | 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, 2-(4-hydroxyphenyl)e...
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Martynoside
- ≥99%
Cas Number: 67884-12-2 Compound CID: 5319292

Formula: C₃₁H₄₀O₁₅ Molecular Weight: 652.64

IUPAC Name: [(2R,3R,4R,5R,6R)-5-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3show more

SMILES: CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)OC)CO)OCCC4=CC(=C(C=C4)OC)O)O)O)O)O

InChIKey: WLWAYPFRKDSFCL-CNMJWYMJSA-N

InChI: InChI=1S/C31H40O15/c1-15-24(36)25(37)26(38)31(43-15)46-29-27(39)30(42-11-10-17-5-8-20(40-2)19(34)12-17)44-22(14-32)28(29)45-23(35)9-6-16-4-7-18(33)21(show more

Synonyms: CS-0023884 | AKOS032948458 | HY-N3316 | NSC 729643 | SCHEMBL2158040 | XM178229 | [(2R,3R,4R,5R,6R)-5-hydroxy-6-[2-(3-...
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Methyl rosmarinate
- ≥99%
Cas Number: 99353-00-1 Compound CID: 6479915

Formula: C₁₉H₁₈O₈ Molecular Weight: 374.34

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

SMILES: COC(=O)C(CC1=CC(=C(C=C1)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O

InChIKey: XHALVRQBZGZHFE-BBOMDTFKSA-N

InChI: InChI=1S/C19H18O8/c1-26-19(25)17(10-12-3-6-14(21)16(23)9-12)27-18(24)7-4-11-2-5-13(20)15(22)8-11/h2-9,17,20-23H,10H2,1H3/b7-4+/t17-/m1/s1

Synonyms: (R,E)-3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxopropan-2-yl 3-(3,4-dihydroxyphenyl)acrylate | Benzenepropanoic acid, .al...
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PROTAC ERRα ligand 2
- ≥99%
Cas Number: 2306388-57-6 Compound CID: 139291005

Formula: C₂₀H₁₃F₆NO₄ Molecular Weight: 445.3

IUPAC Name: (E)-3-[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]-2-cyanoprop-2-enoic acid

SMILES: COC1=C(C=CC(=C1)C=C(C#N)C(=O)O)OCC2=C(C=C(C=C2)C(F)(F)F)C(F)(F)F

InChIKey: JRWKJGIKIBTXMV-AWNIVKPZSA-N

InChI: InChI=1S/C20H13F6NO4/c1-30-17-7-11(6-13(9-27)18(28)29)2-5-16(17)31-10-12-3-4-14(19(21,22)23)8-15(12)20(24,25)26/h2-8H,10H2,1H3,(H,28,29)/b13-6+
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Plantainoside D
- ≥98%
Cas Number: 147331-98-4 Compound CID: 9986606

Formula: C₂₉H₃₆O₁₆ Molecular Weight: 640.59

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

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

InChIKey: CBZYUWGJNYOKHT-ZKDZFUIGSA-N

InChI: InChI=1S/C29H36O16/c30-11-19-22(36)24(38)25(39)29(43-19)45-27-23(37)20(12-42-21(35)6-3-13-1-4-15(31)17(33)9-13)44-28(26(27)40)41-8-7-14-2-5-16(32)18(3show more
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N-p-trans-Coumaroyltyramine
- ≥98%
Cas Number: 36417-86-4 Compound CID: 5372945

Formula: C₁₇H₁₇NO₃ Molecular Weight: 283.32

IUPAC Name: (E)-3-(4-hydroxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide

SMILES: C1=CC(=CC=C1CCNC(=O)C=CC2=CC=C(C=C2)O)O

InChIKey: RXGUTQNKCXHALN-BJMVGYQFSA-N

InChI: InChI=1S/C17H17NO3/c19-15-6-1-13(2-7-15)5-10-17(21)18-12-11-14-3-8-16(20)9-4-14/h1-10,19-20H,11-12H2,(H,18,21)/b10-5+

Synonyms: (2E)-3-(4-Hydroxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-2-propenamide # | 2-Propenamide, 3-(4-hydroxyphenyl)-N-[2-(4-hy...
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Calceolarioside A
- ≥95%(LC/MS-ELSD)
Cas Number: 84744-28-5 Compound CID: 5273566

Formula: C₂₃H₂₆O₁₁ Molecular Weight: 478.45

IUPAC Name: [(2R,3S,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

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

InChIKey: UHIGZYLCYRQESL-VJWFJHQPSA-N

InChI: InChI=1S/C23H26O11/c24-11-18-22(34-19(29)6-3-12-1-4-14(25)16(27)9-12)20(30)21(31)23(33-18)32-8-7-13-2-5-15(26)17(28)10-13/h1-6,9-10,18,20-28,30-31H,7-show more

Synonyms: CHEBI:177500 | [(2R,3S,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] (E)-3-(3...
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3-(3-(Benzyloxy)phenyl)acrylic acid
- ≥97%
Cas Number: 122024-75-3

Formula: C₁₆H₁₄O₃ Molecular Weight: 254.28

IUPAC Name: (E)-3-(3-phenylmethoxyphenyl)prop-2-enoic acid

SMILES: C1=CC=C(C=C1)COC2=CC=CC(=C2)C=CC(=O)O

InChIKey: OFMOWGZEBJKDCT-MDZDMXLPSA-N

InChI: InChI=1S/C16H14O3/c17-16(18)10-9-13-7-4-8-15(11-13)19-12-14-5-2-1-3-6-14/h1-11H,12H2,(H,17,18)/b10-9+
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