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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
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Items 13-24 of 33

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  1. Isochlorogenic acid B
      Grade & Purity: 
    • 10mM in DMSO
    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: 3,4-Dicaffeoylquinic acid|Isochlorogenic acid b|14534-61-3|4,5-Dicqa|4,5-Dicaffeoylquinic acid|(1S,3R,4R,5R)-3,4-bis[...
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  2. Isochlorogenic acid A
      Grade & Purity: 
    • 10mM in DMSO
    Cas Number: 2450-53-5
    Formula:  C25H24O12        Molecular Weight: 516.45
    IUPAC Name:  (3R,5R)-3,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,4-dihydroxycyclohexane-1-carboxylic acid
    SMILES:  C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O
    InChIKey: KRZBCHWVBQOTNZ-RDJMKVHDSA-N
    InChI:  InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-2show more
    Synonyms: Isochlorogenic acid A|3,5-Dicaffeoylquinic acid|2450-53-5|3,5-Di-O-caffeoylquinic acid|89919-62-0|3,5-DCQA|Quinic aci...
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  3. Isochlorogenic acid A
      Grade & Purity: 
    • ≥98%
    Cas Number: 2450-53-5
    Formula:  C25H24O12        Molecular Weight: 516.45
    IUPAC Name:  (3R,5R)-3,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,4-dihydroxycyclohexane-1-carboxylic acid
    SMILES:  C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O
    InChIKey: KRZBCHWVBQOTNZ-RDJMKVHDSA-N
    InChI:  InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-2show more
    Synonyms: 4-fluoro-phenyl-acetonitrile | AKOS032948323 | 3,5-dicaffeoyl quinic acid | 4-Fluorobenzaldhyde | A877898 | NCGC00390...
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  4. D-(-)-Quinic acid
      Grade & Purity: 
    • 10mM in DMSO
    Cas Number: 77-95-2        EC Number: 201-072-8
    Formula:  C7H12O6        Molecular Weight: 192.17
    IUPAC Name:  (3R,5R)-1,3,4,5-tetrahydroxycyclohexane-1-carboxylic acid
    SMILES:  C1C(C(C(CC1(C(=O)O)O)O)O)O
    InChIKey: AAWZDTNXLSGCEK-LNVDRNJUSA-N
    InChI:  InChI=1S/C7H12O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3-5,8-10,13H,1-2H2,(H,11,12)/t3-,4-,5?,7?/m1/s1
    Synonyms: NSC1115 | Quinic acid, United States Pharmacopeia (USP) Reference Standard | 4gui | MEGxp0_001735 | SCHEMBL23845421 |...
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  5. D-(-)-Quinic acid
    Cas Number: 77-95-2        EC Number: 201-072-8
    Formula:  C7H12O6        Molecular Weight: 192.17
    IUPAC Name:  (3R,5R)-1,3,4,5-tetrahydroxycyclohexane-1-carboxylic acid
    SMILES:  C1C(C(C(CC1(C(=O)O)O)O)O)O
    InChIKey: AAWZDTNXLSGCEK-LNVDRNJUSA-N
    InChI:  InChI=1S/C7H12O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3-5,8-10,13H,1-2H2,(H,11,12)/t3-,4-,5?,7?/m1/s1
    Synonyms: NSC1115 | Quinic acid, United States Pharmacopeia (USP) Reference Standard | 4gui | MEGxp0_001735 | SCHEMBL23845421 |...
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  6. Cynarin
      Grade & Purity: 
    • 10mM in DMSO
    Cas Number: 30964-13-7        Compound CID:  5281769
    Formula:  C25H24O12        Molecular Weight: 516.45
    IUPAC Name:  (1R,3R,4S,5R)-1,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-4,5-dihydroxycyclohexane-1-carboxylic acid
    SMILES:  O[C@@H]1C[C@](C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@H]1O)(OC(=O)\C=C\c3ccc(O)c(O)c3)C(O)=O
    InChIKey: YDDUMTOHNYZQPO-RVXRWRFUSA-N
    InChI:  InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-3show more
    Synonyms: Cynarine|Cynarin|30964-13-7|Cinarine|Cinarin|1,5-Dicaffeoylquinic acid|Plemocil|1,3-Dicaffeoylquinic acid|Cynarine [I...
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  7. Cynarin
    Cas Number: 30964-13-7        Compound CID:  5281769
    Formula:  C25H24O12        Molecular Weight: 516.45
    IUPAC Name:  (1R,3R,4S,5R)-1,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-4,5-dihydroxycyclohexane-1-carboxylic acid
    SMILES:  O[C@@H]1C[C@](C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@H]1O)(OC(=O)\C=C\c3ccc(O)c(O)c3)C(O)=O
    InChIKey: YDDUMTOHNYZQPO-RVXRWRFUSA-N
    InChI:  InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-3show more
    Synonyms: Cynarine [INN:WHO-DD] | 1-O,3-O-Bis(3,4-dihydroxycinnamoyl)chinasaeure | Cyclohexanecarboxylic acid, 1,3-bis(((2E)-3-...
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  8. Cryptochlorogenic acid
      Grade & Purity: 
    • ≥98%
    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: 4-Caffeoylquinic acid | (3R,5R)-4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,3,5-trihydroxycyclohexane-1-carboxyl...
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  9. Cryptochlorogenic acid
      Grade & Purity: 
    • 10mM in DMSO
    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: Cryptochlorogenic acid|905-99-7|4-Caffeoylquinic acid|4-O-Caffeoylquinic acid|4-Cqa|4-o-Caffeoyl quinic acid|Quinic a...
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  10. Chlorogenic acid
    Cas Number: 327-97-9        EC Number: 206-325-6        Compound CID:  1794427
    Formula:  C16H18O9        Molecular Weight: 354.31
    IUPAC Name:  (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid
    SMILES:  O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H]1O)C(O)=O
    InChIKey: CWVRJTMFETXNAD-JUHZACGLSA-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: CHLOROGENIC ACID|327-97-9|3-O-Caffeoylquinic acid|Heriguard|Chlorogenate|3-(3,4-Dihydroxycinnamoyl)quinic acid|3-Caff...
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  11. Chlorogenic acid
    Cas Number: 327-97-9        EC Number: 206-325-6        Compound CID:  1794427
    Formula:  C16H18O9        Molecular Weight: 354.31
    IUPAC Name:  (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid
    SMILES:  O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H]1O)C(O)=O
    InChIKey: CWVRJTMFETXNAD-JUHZACGLSA-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: (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylicacid | 3-(3,4-Di...
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  12. Chlorogenic acid
    Cas Number: 327-97-9        EC Number: 206-325-6        Compound CID:  1794427
    Formula:  C16H18O9        Molecular Weight: 354.31
    IUPAC Name:  (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid
    SMILES:  O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H]1O)C(O)=O
    InChIKey: CWVRJTMFETXNAD-JUHZACGLSA-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: (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylicacid | 3-(3,4-Di...
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