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Cyclitols and derivatives

Description:

Compounds containing a cycloalkane moiety with one hydroxyl group on each of three or more ring atoms. These of also include derivatives where the hydrogen atom of one or more of the hydroxyl groups is replaced with another atom.

Ancestors:

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

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  1. 5-O-Coumaroylquinic acid
    5-O-Coumaroylquinic acid
    CAS: 87099-71-6 Formula: C16H18O8 Molecular Weight: 338.31
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    Out of Stock Item #: P1020218
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    Technical Identifiers
    IUPAC Name
    (1R,3R,4S,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid
    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
    InChIKey
    BMRSEYFENKXDIS-QHAYPTCMSA-N
    InChI
    1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1show more
  2. 3,5-Di-O-caffeoylquinic acid methyl ester
    3,5-Di-O-caffeoylquinic acid methyl ester
    CAS: 159934-13-1 PubChem CID: 10075681
    Out of Stock Item #: D1307895
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    Technical Identifiers
    IUPAC Name
    methyl (3R,5R)-3,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,4-dihydroxycyclohexane-1-carboxylate
    SMILES
    COC(=O)C1(CC(C(C(C1)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O
    InChIKey
    VEBNYMXKXIIGFX-IYVYCCGLSA-N
    InChI
    1S/C26H26O12/c1-36-25(34)26(35)12-20(37-22(31)8-4-14-2-6-16(27)18(29)10-14)24(33)21(13-26)38-23(32)9-5-15-3-7-17(28)19(30)11-15/h2-11,20-21,24,27-30,3show more
  3. 5-Galloylquinic acid
    5-Galloylquinic acid
    CAS: 53584-43-3 PubChem CID: 14520970
    ≥99%
    Out of Stock Item #: G946599
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    Technical Identifiers
    IUPAC Name
    (1R,3R,4S,5R)-1,3,4-trihydroxy-5-(3,4,5-trihydroxybenzoyl)oxycyclohexane-1-carboxylic acid
    SMILES
    C1C(C(C(CC1(C(=O)O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)O)O
    InChIKey
    LDPLFHGGZNSKDS-AOGLXQGOSA-N
    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
  4. methyl shikimate
    methyl shikimate
    CAS: 40983-58-2 PubChem CID: 430652 Formula: C8H12O5 Molecular Weight: 188.18
    Solid ≥95%
    Out of Stock Item #: M770342
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    Technical Identifiers
    IUPAC Name
    methyl 3,4,5-trihydroxycyclohexene-1-carboxylate
    SMILES
    COC(=O)C1=CC(C(C(C1)O)O)O
    InChIKey
    LSNUUAUXWJZSFD-UHFFFAOYSA-N
    InChI
    1S/C8H12O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2,5-7,9-11H,3H2,1H3
  5. 3-Galloylquinic acid
    3-Galloylquinic acid
    CAS: 17365-11-6 Formula: C14H16O10 Molecular Weight: 344.27
    ≥98%
    Out of Stock Item #: G769837
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    Technical Identifiers
    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
    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
  6. 3-O-Caffeoylquinic acid methyl ester
    3-O-Caffeoylquinic acid methyl ester
    CAS: 123483-19-2 Formula: C17H20O9 Molecular Weight: 368.34
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    Out of Stock Item #: O709896
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    Technical Identifiers
    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
    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-,17+/m1/show more
    Synonyms
    Methyl (1S,3R,4R,5R)-3-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexane-1-carboxylate | DTXSID5...
  7. no_selection
    azanium,(5-bromo-4-chloro-1H-indol-3-yl) [(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl] phosphate
    CAS: 212515-11-2 PubChem CID: 16212483
    ≥98%
    Out of Stock Item #: A664203
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    Technical Identifiers
    IUPAC Name
    azanium;(5-bromo-4-chloro-1H-indol-3-yl) [(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl] phosphate
    SMILES
    C1=CC(=C(C2=C1NC=C2OP(=O)([O-])OC3C(C(C(C(C3O)O)O)O)O)Cl)Br.[NH4+]
    InChIKey
    HIFQQHVVHCJEPZ-STHBLVJOSA-N
    InChI
    1S/C14H16BrClNO9P.H3N/c15-4-1-2-5-7(8(4)16)6(3-17-5)25-27(23,24)26-14-12(21)10(19)9(18)11(20)13(14)22;/h1-3,9-14,17-22H,(H,23,24);1H3/t9?,10-,11+,12-,show more
  8. 4-Feruloylquinic acid - ≥98% CAS No(2613-86-7) by Aladdin Scientific
    4-O-Feruloylquinic acid
    CAS: 2613-86-7 Formula: C17H20O9 Molecular Weight: 368.34
    Solid ≥98%
    Out of Stock Item #: F664112
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    Technical Identifiers
    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
    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-,12-,15?show more
    Synonyms
    (1alpha,3R,4alpha,5R)-1,3,5-Trihydroxy-4-[[3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]oxy]cyclohexanecarboxyli...
  9. 5-Feruloylquinic acid
    5-Feruloylquinic acid
    CAS: 40242-06-6 PubChem CID: 10133609 Formula: C17H20O9 Molecular Weight: 368.34
    ≥99%
    Out of Stock Item #: F649442
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    Technical Identifiers
    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
    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+/t11-,13-,show more
    Synonyms
    3-O-(E)-Feruloylquinic acid | NCGC00168971-02 | MEGxp0_000450 | AKOS040760231 | 3-Feruloylquinic acid | E87089 | UNII...
  11. 3,4,5-Tricaffeoylquinic acid
    3,4,5-Tricaffeoylquinic acid
    CAS: 86632-03-3 PubChem CID: 6440783 Formula: C34H30O15 Molecular Weight: 678.59
    ≥98%
    Out of Stock Item #: T646562
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    Technical Identifiers
    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
    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)12-6-20-3-9-23(3show more
    Synonyms
    AKOS025402173 | 3,4,5-tricaffeoylquinic acid | SCHEMBL17466763 | (1alpha,3R,4alpha,5R)-3,4,5-Tris[[(2E)-3-(3,4-dihydr...
  12. 1,5,-IP₂
    1,5,-IP₂
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
    Out of Stock Item #: I607071
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    Technical Identifiers
    IUPAC Name
    [(1R,2S,4R,5S)-2,3,4,6-tetrahydroxy-5-phosphonooxycyclohexyl] dihydrogen phosphate
    SMILES
    OC1[C@H](OP(=O)(O)O)[C@@H](O)C([C@H]([C@@H]1OP(=O)(O)O)O)O
    InChIKey
    PUVHMWJJTITUGO-WJPCITMWSA-N
    InChI
    1S/C6H14O12P2/c7-1-2(8)5(17-19(11,12)13)4(10)6(3(1)9)18-20(14,15)16/h1-10H,(H2,11,12,13)(H2,14,15,16)/t1?,2-,3+,4?,5+,6-
    Synonyms
    DTXSID60869397 | Inositol 1,3-diphosphate | C04062 | Q27102919 | D-myo-Inositol 1,3-bisphosphate | [(1R,2S,4R,5S)-2,3...
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