Hydroxycinnamic acids and derivatives

Description:

Compounds containing an cinnamic acid (or a derivative thereof) where the benzene ring is hydroxylated.

Ancestors:

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

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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Entacapone-d10
- ≥98%
Cas Number: 1185241-19-3

Formula: C₁₄H₅D₁₀N₃O₅ Molecular Weight: 315.35

IUPAC Name: (E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-bis(1,1,2,2,2-pentadeuterioethyl)prop-2-enamide

SMILES: CCN(CC)C(=O)C(=CC1=CC(=C(C(=C1)O)O)[N+](=O)[O-])C#N

InChIKey: JRURYQJSLYLRLN-YFIMXNTNSA-N

InChI: InChI=1S/C14H15N3O5/c1-3-16(4-2)14(20)10(8-15)5-9-6-11(17(21)22)13(19)12(18)7-9/h5-7,18-19H,3-4H2,1-2H3/b10-5+/i1D3,2D3,3D2,4D2
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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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(E)-[6]-Dehydroparadol
- ≥95%
Cas Number: 878006-06-5 Compound CID: 6438480

Formula: C₁₇H₂₄O₃ Molecular Weight: 276.37

SMILES: CCCCCCCC(=O)/C=C/C1=CC(=C(C=C1)O)OC
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Picroside IV
Cas Number: 211567-04-3 Compound CID: 23928135

Formula: C₂₄H₂₈O₁₂ Molecular Weight: 508.47

IUPAC Name: [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(1S,2S,4S,5S,6R,10S)-5-hydroxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]oxan-2-yl]methshow more

SMILES: C1=COC(C2C1C(C3C2(O3)CO)O)OC4C(C(C(C(O4)COC(=O)C=CC5=CC=C(C=C5)O)O)O)O

InChIKey: AKYYFSOMEOHPPO-LQQBYVAQSA-N

InChI: InChI=1S/C24H28O12/c25-10-24-16-13(17(28)21(24)36-24)7-8-32-22(16)35-23-20(31)19(30)18(29)14(34-23)9-33-15(27)6-3-11-1-4-12(26)5-2-11/h1-8,13-14,16-23show more

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Nitecapone (OR-462)
- ≥99%
Cas Number: 116313-94-1 Compound CID: 5464105

Formula: C₁₂H₁₁NO₆ Molecular Weight: 265.22

IUPAC Name: 3-[(3,4-dihydroxy-5-nitrophenyl)methylidene]pentane-2,4-dione

SMILES: CC(=O)C(=CC1=CC(=C(C(=C1)O)O)[N+](=O)[O-])C(=O)C

InChIKey: UPMRZALMHVUCIN-UHFFFAOYSA-N

InChI: InChI=1S/C12H11NO6/c1-6(14)9(7(2)15)3-8-4-10(13(18)19)12(17)11(16)5-8/h3-5,16-17H,1-2H3

Synonyms: 98BS722498 | Nitecapona [INN-Spanish] | Nitecapone [INN] | Q7041230 | Nitecapone | Nitecaponum | 3-[(3,4-dihydroxy-5-...
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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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N-Feruloyloctopamine
- ≥99%
Cas Number: 66648-44-0 Compound CID: 24096391

Formula: C₁₈H₁₉NO₅ Molecular Weight: 329.35

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

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

InChIKey: VJSCHQMOTSXAKB-YCRREMRBSA-N

InChI: InChI=1S/C18H19NO5/c1-24-17-10-12(2-8-15(17)21)3-9-18(23)19-11-16(22)13-4-6-14(20)7-5-13/h2-10,16,20-22H,11H2,1H3,(H,19,23)/b9-3+

Synonyms: N-Feruloyloctopamine | N-feruloyl-Octopamine | N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl] ferulamide | Octopamine, N-feru...
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(E)-Osmundacetone
- ≥99%
Cas Number: 123694-03-1 Compound CID: 9942292

Formula: C₁₀H₁₀O₃ Molecular Weight: 178.18

IUPAC Name: (E)-4-(3,4-dihydroxyphenyl)but-3-en-2-one

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

InChIKey: YIFZKRGUGKLILR-NSCUHMNNSA-N

InChI: InChI=1S/C10H10O3/c1-7(11)2-3-8-4-5-9(12)10(13)6-8/h2-6,12-13H,1H3/b3-2+

Synonyms: 3-Buten-2-one, 4-(3,4-dihydroxyphenyl)-, (3E)- | (E)-4-(3,4-dihydroxyphenyl)but-3-en-2-one | CS-0101449 | (E)-3,4-Dih...
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5-Hydroxyferulic acid
- ≥99%
Cas Number: 1782-55-4 EC Number: 803-254-8 Compound CID: 446834

Formula: C₁₀H₁₀O₅ Molecular Weight: 210.18

IUPAC Name: (E)-3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enoic acid

SMILES: COC1=CC(=CC(=C1O)O)C=CC(=O)O

InChIKey: YFXWTVLDSKSYLW-NSCUHMNNSA-N

InChI: InChI=1S/C10H10O5/c1-15-8-5-6(2-3-9(12)13)4-7(11)10(8)14/h2-5,11,14H,1H3,(H,12,13)/b3-2+

Synonyms: SR-01000597542-1 | (2E)-3-(3,4-Dihydroxy-5-methoxyphenyl)-2-propenoic acid | 3-(3,4-dihydroxy-5-methoxyphenyl)acrylic...
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