Reference Materials-Aladdin Scientific

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Chlorogenic acid
- ≥98%
Cas#: 327-97-9 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-,14-,16+/m1/s1

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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Isoliquiritigenin
Cas#: 961-29-5 Compound CID: 638278

Formula: C₁₅H₁₂O₄ Molecular Weight: 256.25

IUPAC Name: (E)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one

SMILES: C1=CC(=CC=C1C=CC(=O)C2=C(C=C(C=C2)O)O)O

InChIKey: DXDRHHKMWQZJHT-FPYGCLRLSA-N

InChI: InChI=1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H/b8-3+

Synonyms: SMR000112969 | EU-0100681 | NCGC00261366-01 | SR-01000075499 | (E)-1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)-2-prop...
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Isochlorogenic acid B, Channel blocker of TRPV3
- ≥98%
Cas#: 14534-61-3 Compound CID: 5281780

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/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1

Synonyms: CHEBI:5995 | 4,5-Dicaffeoylquinic acid | 4,5-Dicqa | Isochlorogenic acid b | UNII-45777W94HK | (1S,3R,4R,5R)-3,4-bis[...
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(-)-Epigallocatechin gallate
Cas#: 989-51-5 Compound CID: 65064

Formula: C₂₂H₁₈O₁₁ Molecular Weight: 458.37

IUPAC Name: [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate

SMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O

InChIKey: WMBWREPUVVBILR-WIYYLYMNSA-N

InChI: InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1

Synonyms: EGCG | 3-O-Gallate
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Isoliquiritin
- ≥98%
Cas#: 5041-81-6 Compound CID: 5318591

Formula: C₂₁H₂₂O₉ Molecular Weight: 418.39

IUPAC Name: (E)-1-(2,4-dihydroxyphenyl)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one

SMILES: C1=CC(=CC=C1C=CC(=O)C2=C(C=C(C=C2)O)O)OC3C(C(C(C(O3)CO)O)O)O

InChIKey: YNWXJFQOCHMPCK-LXGDFETPSA-N

InChI: InChI=1S/C21H22O9/c22-10-17-18(26)19(27)20(28)21(30-17)29-13-5-1-11(2-6-13)3-8-15(24)14-7-4-12(23)9-16(14)25/h1-9,17-23,25-28H,10H2/b8-3+/t17-,18-,19+,20-,21-/m1/s1

Synonyms: Carboxycyclopropylamine | NSC 6493 | 2-PROPEN-1-ONE, 1-(2,4-DIHYDROXYPHENYL)-3-(4-(.BETA.-D-GLUCOPYRANOSYLOXY)PHENYL)...
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Chlorogenic acid, Inhibitor of protein tyrosine phosphatase non-receptor type 1
- 10mM in DMSO
Cas#: 327-97-9 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-,14-,16+/m1/s1

Synonyms: CHLOROGENIC ACID|327-97-9|3-O-Caffeoylquinic acid|Heriguard|Chlorogenate|3-(3,4-Dihydroxycinnamoyl)quinic acid|3-Caff...
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Isochlorogenic acid B, Channel blocker of TRPV3
- 10mM in DMSO
Cas#: 14534-61-3 Compound CID: 5281780

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/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1

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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Luteolin, Agonist of TAS2R14;Agonist of TAS2R39
- ≥98%
Cas#: 491-70-3 Compound CID: 5280445

Formula: C₁₅H₁₀O₆ Molecular Weight: 286.24

IUPAC Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one

SMILES: C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O

InChIKey: IQPNAANSBPBGFQ-UHFFFAOYSA-N

InChI: InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H

Synonyms: Digitoflavone | Luteolol | 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one
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Quercetin 3-rhamnoside
- ≥98%
Cas#: 522-12-3 Compound CID: 5280459

Formula: C₂₁H₂₀O₁₁ Molecular Weight: 448.38

IUPAC Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one

SMILES: CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O

InChIKey: OXGUCUVFOIWWQJ-HQBVPOQASA-N

InChI: InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1

Synonyms: 3-O-a-L-Rhamnopyranosyloxy-3',4',5,7-tetrahydroxyflavone | NCI-C60102 | Quercitroside | 4H-1-Benzopyran-4-one, 3-[(6-...
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Quercetin
- ≥98.5%
Cas#: 117-39-5 Compound CID: 5280343

Formula: C₁₅H₁₀O₇ Molecular Weight: 302.24

IUPAC Name: 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one

SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O

InChIKey: REFJWTPEDVJJIY-UHFFFAOYSA-N

InChI: InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H

Synonyms: 4mra | CHEBI:16243 | NCI-C60106 | QUERCETIN (USP-RS) | Quer | Spectrum3_000642 | Quercetin_sathishkumar | Korvitin | ...
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p-Coumaric acid, Agonist of HCA 2 receptor
- ≥99%
Cas#: 501-98-4 Compound CID: 637542

Formula: C₉H₈O₃ Molecular Weight: 164.16

IUPAC Name: (E)-3-(4-hydroxyphenyl)prop-2-enoic acid

SMILES: C1=CC(=CC=C1C=CC(=O)O)O

InChIKey: NGSWKAQJJWESNS-ZZXKWVIFSA-N

InChI: InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+

Synonyms: Dehydroepiandrosterone-[D6] (CertiMass solution) | Para-Coumaric acid | b-[4-Hydroxyphenyl]acrylate | Cinnamic acid, ...
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p-Coumaric acid
- 10mM in DMSO
Cas#: 501-98-4 Compound CID: 637542

Formula: C₉H₈O₃ Molecular Weight: 164.16

IUPAC Name: (E)-3-(4-hydroxyphenyl)prop-2-enoic acid

SMILES: C1=CC(=CC=C1C=CC(=O)O)O

InChIKey: NGSWKAQJJWESNS-ZZXKWVIFSA-N

InChI: InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+

Synonyms: p-coumaric acid|4-Hydroxycinnamic acid|501-98-4|p-Hydroxycinnamic acid|trans-4-Hydroxycinnamic acid|4-Coumaric acid|7...
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