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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Cimaterol, Agonist of β 1-adrenoceptor;Agonist of β 2-adrenoceptor
Cas#: 54239-37-1 Compound CID: 2755

Formula: C₁₂H₁₇N₃O Molecular Weight: 219.28

IUPAC Name: 2-amino-5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzonitrile

SMILES: CC(C)NCC(C1=CC(=C(C=C1)N)C#N)O

InChIKey: BUXRLJCGHZZYNE-UHFFFAOYSA-N

InChI: InChI=1S/C12H17N3O/c1-8(2)15-7-12(16)9-3-4-11(14)10(5-9)6-13/h3-5,8,12,15-16H,7,14H2,1-2H3

Synonyms: cimaterol|54239-37-1|Cimater|Cimaterolum|AB-A 663|AC 263,780|2-amino-5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzonitr...
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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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6-Propyl-2-thiouracil, Thyroid peroxidase inhibitor
Cas#: 51-52-5 Compound CID: 657298

Formula: C₇H₁₀N₂OS Molecular Weight: 170.23

IUPAC Name: 6-propyl-2-sulfanylidene-1H-pyrimidin-4-one

SMILES: CCCC1=CC(=O)NC(=S)N1

InChIKey: KNAHARQHSZJURB-UHFFFAOYSA-N

InChI: InChI=1S/C7H10N2OS/c1-2-3-5-4-6(10)9-7(11)8-5/h4H,2-3H2,1H3,(H2,8,9,10,11)

Synonyms: BSPBio_000387 | PROPYLTHIOURACIL [IARC] | PROPYLTHIOURACIL [EP MONOGRAPH] | Propylthiouracil; 2,3-dihydro-6-propyl-2-...
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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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