Quinic acids and derivatives

Description:

Compounds containing a quinic acid moiety (or a derivative thereof), which is a cyclitol made up of a cyclohexane ring that bears four hydroxyl groups at positions 1,3.4, and 5, as well as a carboxylic acid at position 1.

Ancestors:

Organic compounds ⮕ Organic oxygen compounds ⮕ Organooxygen compounds ⮕ Alcohols and polyols ⮕ Cyclic alcohols and derivatives ⮕ Cyclitols and derivatives ⮕ Quinic acids and derivatives

3-Galloylquinic acid
- ≥98%
Cas Number: 17365-11-6

Formula: C₁₄H₁₆O₁₀ Molecular Weight: 344.27

SMILES: C1C(C(C(CC1(C(=O)O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)O)O

InChIKey: LDPLFHGGZNSKDS-FTBFGRRBSA-N

InChI: InChI=1S/C14H16O10/c15-6-1-5(2-7(16)10(6)18)12(20)24-9-4-14(23,13(21)22)3-8(17)11(9)19/h1-2,8-9,11,15-19,23H,3-4H2,(H,21,22)/t8-,9-,11-,14+/m1/s1
Details

Pricing Close
3-O-Caffeoylquinic acid methyl ester
- ≥98%
Cas Number: 123483-19-2 Compound CID: 6476139

Formula: C₁₇H₂₀O₉ Molecular Weight: 368.3

IUPAC Name: methyl (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylate

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

InChIKey: MZNIJRAPCCELQX-AWOKGZDASA-N

InChI: InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,1show more
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Pricing Close
4-Feruloylquinic acid
- ≥98%
Cas Number: 2613-86-7 Compound CID: 10177048

IUPAC Name: (3R,5R)-1,3,5-trihydroxy-4-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid

SMILES: COC1=C(C=CC(=C1)C=CC(=O)OC2C(CC(CC2O)(C(=O)O)O)O)O

InChIKey: VTMFDSJJVNQXLT-XQCMRRNBSA-N

InChI: InChI=1S/C17H20O9/c1-25-13-6-9(2-4-10(13)18)3-5-14(21)26-15-11(19)7-17(24,16(22)23)8-12(15)20/h2-6,11-12,15,18-20,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,1show more
Details

Pricing Close
5-Feruloylquinic acid
- ≥99%
Cas Number: 40242-06-6 Compound CID: 10133609

Formula: C₁₇H₂₀O₉ Molecular Weight: 368.34

IUPAC Name: (1R,3R,4S,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid

SMILES: COC1=C(C=CC(=C1)C=CC(=O)OC2CC(CC(C2O)O)(C(=O)O)O)O

InChIKey: RAGZUCNPTLULOL-KQJPBSFVSA-N

InChI: InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11show more

Synonyms: 3-O-(E)-Feruloylquinic acid | NCGC00168971-02 | MEGxp0_000450 | AKOS040760231 | 3-Feruloylquinic acid | E87089 | UNII...
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Pricing Close
5-O-(E)-p-Coumaroylquinic acid
Cas Number: 5746-55-4 Compound CID: 6441280

Formula: C₁₆H₁₈O₈ Molecular Weight: 338.31

SMILES: C1[C@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)OC(=O)/C=C/C2=CC=C(C=C2)O)O)O

Details

Pricing Close
3,4,5-Tricaffeoylquinic acid
- ≥98%
Cas Number: 86632-03-3 Compound CID: 6440783

Formula: C₃₄H₃₀O₁₅ Molecular Weight: 678.59

IUPAC Name: (3R,5R)-3,4,5-tris[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1-hydroxycyclohexane-1-carboxylic acid

SMILES: C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)OC(=O)C=CC4=CC(=C(C=C4)O)O

InChIKey: OAFXTKGAKYAFSI-JFPZSYFPSA-N

InChI: InChI=1S/C34H30O15/c35-21-7-1-18(13-24(21)38)4-10-29(41)47-27-16-34(46,33(44)45)17-28(48-30(42)11-5-19-2-8-22(36)25(39)14-19)32(27)49-31(43)12-6-20-3-show more

Synonyms: AKOS025402173 | 3,4,5-tricaffeoylquinic acid | SCHEMBL17466763 | (1alpha,3R,4alpha,5R)-3,4,5-Tris[[(2E)-3-(3,4-dihydr...
Details

Pricing Close
Isochlorogenic acid B
- ≥93%
Cas Number: 14534-61-3 EC Number: 874-682-0

Formula: C₂₅H₂₄O₁₂ Molecular Weight: 516.46

IUPAC Name: (1S,3R,4R,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylic acid

SMILES: C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O

InChIKey: UFCLZKMFXSILNL-PSEXTPKNSA-N

InChI: InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-3show more

Synonyms: 4,5-Di-O-caffeoylquinic acid? | CHEBI:5995 | 4,5-Dicaffeoylquinic acid | IsochlorogenicacidB | Isochlorogenic-acid-B ...
Details

Pricing Close
Cryptochlorogenic acid
- ≥97%
Cas Number: 905-99-7

Formula: C₁₆H₁₈O₉ Molecular Weight: 354.31

IUPAC Name: (3R,5R)-4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,3,5-trihydroxycyclohexane-1-carboxylic acid

SMILES: C1C(C(C(CC1(C(=O)O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O

InChIKey: GYFFKZTYYAFCTR-AVXJPILUSA-N

InChI: InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14?,1show more

Synonyms: Cinnamic acid, 3,4-dihydroxy-, 4-carboxy-2,4,6-trihydroxycyclohexyl ester | Cyclohexanecarboxylic acid, 4-((3-(3,4-di...
Details

Pricing Close
Neochlorogenic acid
- ≥99%
Cas Number: 906-33-2 EC Number: 212-997-1

Formula: C₁₆H₁₈O₉ Molecular Weight: 354.31

IUPAC Name: (1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid

SMILES: C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O

InChIKey: CWVRJTMFETXNAD-NXLLHMKUSA-N

InChI: InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14show more

Synonyms: ACon1_000392 | HMS3886H18 | Neochlorogenate | trans-5-O-Caffeoylquinic acid | s9136 | SCHEMBL18317299 | trans-5-O-caf...
Details

Pricing Close
Neochlorogenic acid
- 10mM in DMSO
Cas Number: 906-33-2 EC Number: 212-997-1

Formula: C₁₆H₁₈O₉ Molecular Weight: 354.31

IUPAC Name: (1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid

SMILES: C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O

InChIKey: CWVRJTMFETXNAD-NXLLHMKUSA-N

InChI: InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14show more

Synonyms: Neochlorogenic acid|906-33-2|5-O-Caffeoylquinic acid|Neochlorogenate|5-Caffeylquinic acid|(E)-Neochlorogenic Acid|UNI...
Details

Pricing Close
Isochlorogenic acid C
- 10mM in DMSO
Cas Number: 57378-72-0

Formula: C₂₅H₂₄O₁₂ Molecular Weight: 516.45

IUPAC Name: (1R,3R,4S,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylic acid

SMILES: C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O

InChIKey: UFCLZKMFXSILNL-RVXRWRFUSA-N

InChI: InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-3show more

Synonyms: Isochlorogenic acid C|57378-72-0|4,5-Dicaffeoylquinic acid|4,5-Di-O-caffeoylquinic acid|3,4-DICQA|UNII-E57A0DKE0B|E57...
Details

Pricing Close
Isochlorogenic acid C
- ≥98%
Cas Number: 57378-72-0

Formula: C₂₅H₂₄O₁₂ Molecular Weight: 516.45

IUPAC Name: (1R,3R,4S,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylic acid

SMILES: C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O

InChIKey: UFCLZKMFXSILNL-RVXRWRFUSA-N

InChI: InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-3show more

Synonyms: AMY30613 | Cyclohexanecarboxylic acid,3,4-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,5-dihydroxy-,(1R,3R,4S...
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