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

methyl shikimate
- ≥95%
Cas Number: 40983-58-2 Compound CID: 430652

Formula: C₈H₁₂O₅ Molecular Weight: 188.18

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: InChI=1S/C8H12O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2,5-7,9-11H,3H2,1H3
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Pricing Close
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
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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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azanium,(5-bromo-4-chloro-1H-indol-3-yl) [(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl] phosphate
- ≥98%
Cas Number: 212515-11-2 Compound CID: 16212483

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: 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-,11show 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
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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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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

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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...
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1,5,-IP₂
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: 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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1,4,-IP₂
Cas Number: 47055-78-7 Compound CID: 25203530

IUPAC Name: [(2R,3S,5R,6R)-2,3,5,6-tetrahydroxy-4-phosphonatooxycyclohexyl] phosphate

SMILES: O[C@@H]1C(OP(=O)([O-])[O-])[C@H](O)[C@H](C([C@@H]1O)OP(=O)([O-])[O-])O

InChIKey: PELZSPZCXGTUMR-MBEOBJKWSA-J

InChI: InChI=1S/C6H14O12P2/c7-1-2(8)6(18-20(14,15)16)4(10)3(9)5(1)17-19(11,12)13/h1-10H,(H2,11,12,13)(H2,14,15,16)/p-4/t1-,2-,3-,4+,5?,6?/m1/s1

Synonyms: 1D-myo-inositol 1,4-bisphosphate | inositol 1,4-bis(phosphate)
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rancinamycin IA
Cas Number: 60925-59-9 Compound CID: 71438887

IUPAC Name: (2-formyl-4,5,6-trihydroxycyclohex-2-en-1-yl) 2-methylpropanoate

SMILES: O=CC1=CC(O)C(C(C1OC(=O)C(C)C)O)O

InChIKey: TWOYHFIJNHPEEO-UHFFFAOYSA-N

InChI: InChI=1S/C11H16O6/c1-5(2)11(16)17-10-6(4-12)3-7(13)8(14)9(10)15/h3-5,7-10,13-15H,1-2H3

Synonyms: 2-Methylpropanoic acid 2-formyl-4,5,6-trihydroxy-2-cyclohexen-1-yl ester | Q27266152 | Propanoic acid, 2-methyl-, 2-f...
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inositol 1-phosphate
Cas Number: 15421-51-9

SMILES: O[C@H]1[C@H](OP(=O)(O)O)[C@H](O)[C@@H]([C@H]([C@@H]1O)O)O

InChIKey: INAPMGSXUVUWAF-UOTPTPDRSA-N

InChI: InChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/t1-,2-,3+,4-,5-,6-/m1/s1

Synonyms: UNII-5G9I890092 | INOSITOL MONOPHOSPHATE | Myoinositol 3-phosphate | inositol 1-phosphate | myo-Inositol, 1-(dihydrog...
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