Reference Materials-Aladdin Scientific

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Resveratrol, Inhibitor of COX-2;Agonist of TAS2R14;Antagonist of Peroxisome proliferator-activated receptor-γ
Cas#: 501-36-0 Compound CID: 445154

Formula: C₁₄H₁₂O₃ Molecular Weight: 228.24

IUPAC Name: 5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol

SMILES: C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)O

InChIKey: LUKBXSAWLPMMSZ-OWOJBTEDSA-N

InChI: InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+

Synonyms: Q369O8926L | CHEBI:27881 | CU-01000001503-3 | HMS1792H15 | NSC133100 | BPBio1_000479 | NCGC00344093-09 | RESVERATROL ...
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trans-Cinnamic acid
- ≥99.5%(GC)
Cas#: 140-10-3 Compound CID: 444539

Formula: C₉H₈O₂ Molecular Weight: 148.16

IUPAC Name: (E)-3-phenylprop-2-enoic acid

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

InChIKey: WBYWAXJHAXSJNI-VOTSOKGWSA-N

InChI: InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+

Synonyms: Cinnamic acid, E- | tert-.beta.-Phenylacrylic acid | 3-Phenylpropenoic acid | (E)-3-Phenylacrylate | (E)-3-phenylprop...
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trans-Cinnamic acid
Cas#: 140-10-3 Compound CID: 444539

Formula: C₉H₈O₂ Molecular Weight: 148.16

IUPAC Name: (E)-3-phenylprop-2-enoic acid

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

InChIKey: WBYWAXJHAXSJNI-VOTSOKGWSA-N

InChI: InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+

Synonyms: Cinnamic acid, E- | tert-.beta.-Phenylacrylic acid | 3-Phenylpropenoic acid | (E)-3-Phenylacrylate | (E)-3-phenylprop...
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Isoferulic Acid, Inhibitor of phosphomevalonate kinase
- ≥98%
Cas#: 537-73-5 Compound CID: 736186

Formula: C₁₀H₁₀O₄ Molecular Weight: 194.18

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

SMILES: COC1=C(C=C(C=C1)C=CC(=O)O)O

InChIKey: QURCVMIEKCOAJU-HWKANZROSA-N

InChI: InChI=1S/C10H10O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+

Synonyms: DTXSID501009309 | Isoferulate | XSQ2K2G7MC | (E)-3-(3-hydroxy-4-methoxyphenyl)acrylicacid | DTXCID90908460 | Hesperet...
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Genistein, Activator of CFTR;Agonist of Estrogen receptor-β;Agonist of Estrogen-related receptor-α;Agonist of Estrogen-related receptor-β;Agonist of Estrogen-related receptor-γ;Agonist of TAS2R14;Agonist of TAS2R39;Activator of TRPC5
- ≥98%
Cas#: 446-72-0 Compound CID: 5280961

Formula: C₁₅H₁₀O₅ Molecular Weight: 270.24

IUPAC Name: 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one

SMILES: C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O

InChIKey: TZBJGXHYKVUXJN-UHFFFAOYSA-N

InChI: InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H

Synonyms: cid_5280961 | GTPL2826 | BRN 0263823 | DH2M523P0H | MolMap_000022 | GENISTEIN (USP-RS) | Differenol A | GENISTEIN [MI...
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Nobiletin
Cas#: 478-01-3 Compound CID: 72344

Formula: C₂₁H₂₂O₈ Molecular Weight: 402.39

IUPAC Name: 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxychromen-4-one

SMILES: COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC

InChIKey: MRIAQLRQZPPODS-UHFFFAOYSA-N

InChI: InChI=1S/C21H22O8/c1-23-13-8-7-11(9-15(13)24-2)14-10-12(22)16-17(25-3)19(26-4)21(28-6)20(27-5)18(16)29-14/h7-10H,1-6H3

Synonyms: SPBio_001654 | NC00186 | Spectrum3_000921 | 2-(3,4-Dimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one | GTPL...
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Parthenolide, Agonist of TAS2R14;Agonist of TAS2R8
- ≥98%
Cas#: 20554-84-1 Compound CID: 7251185

Formula: C₁₅H₂₀O₃ Molecular Weight: 248.32

IUPAC Name: (1S,2R,4R,7E,11S)-4,8-dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one

SMILES: CC1=CCCC2(C(O2)C3C(CC1)C(=C)C(=O)O3)C

InChIKey: KTEXNACQROZXEV-PVLRGYAZSA-N

InChI: InChI=1S/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/b9-5+/t11-,12-,13+,15+/m0/s1

Synonyms: AS-17479 | NSC370475 | BSPBio_001308 | CCG-208244 | Parthenolide, >=98% (HPLC) | 4,5-alpha-Epoxy-6-beta-hydroxygermac...
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Aristolochic acid A
Cas#: 313-67-7 Compound CID: 2236

Formula: C₁₇H₁₁NO₇ Molecular Weight: 341.27

IUPAC Name: 8-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid

SMILES: COC1=CC=CC2=C3C(=C(C=C21)[N+](=O)[O-])C(=CC4=C3OCO4)C(=O)O

InChIKey: BBFQZRXNYIEMAW-UHFFFAOYSA-N

InChI: InChI=1S/C17H11NO7/c1-23-12-4-2-3-8-9(12)5-11(18(21)22)14-10(17(19)20)6-13-16(15(8)14)25-7-24-13/h2-6H,7H2,1H3,(H,19,20)

Synonyms: DTXSID0040969 | KBio2_006772 | NCGC00017334-01 | NCGC00095981-03 | ARISTOLOCHIC ACID [IARC] | C17H11NO7 | KBio2_00163...
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Isoferulic Acid, Inhibitor of phosphomevalonate kinase
- 10mM in DMSO
Cas#: 537-73-5 Compound CID: 736186

Formula: C₁₀H₁₀O₄ Molecular Weight: 194.18

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

SMILES: COC1=C(C=C(C=C1)C=CC(=O)O)O

InChIKey: QURCVMIEKCOAJU-HWKANZROSA-N

InChI: InChI=1S/C10H10O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+

Synonyms: Isoferulic acid|3-Hydroxy-4-methoxycinnamic acid|537-73-5|Hesperetic acid|25522-33-2|3-(3-Hydroxy-4-methoxyphenyl)acr...
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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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Parthenolide, Agonist of TAS2R14;Agonist of TAS2R8
- 10mM in DMSO
Cas#: 20554-84-1 Compound CID: 7251185

Formula: C₁₅H₂₀O₃ Molecular Weight: 248.32

IUPAC Name: (1S,2R,4R,7E,11S)-4,8-dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one

SMILES: CC1=CCCC2(C(O2)C3C(CC1)C(=C)C(=O)O3)C

InChIKey: KTEXNACQROZXEV-PVLRGYAZSA-N

InChI: InChI=1S/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/b9-5+/t11-,12-,13+,15+/m0/s1

Synonyms: parthenolide|20554-84-1|(-)-Parthenolide|CHEBI:7939|CHEMBL465158|MFCD00134592|(1aR,4E,7aS,10aS,10bR)-1a,5-dimethyl-8-...
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Silibinin, Agonist of TAS2R14
- ≥98%
Cas#: 22888-70-6 Compound CID: 31553

Formula: C₂₅H₂₂O₁₀ Molecular Weight: 482.44

IUPAC Name: (2R,3R)-3,5,7-trihydroxy-2-[(2R,3R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one

SMILES: COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O

InChIKey: SEBFKMXJBCUCAI-HKTJVKLFSA-N

InChI: InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20-,23+,24-,25-/m1/s1

Synonyms: Silibinina | Silybin;Silibinin A;Silymarin I | (2R,3R)-3,5,7-Trihydroxy-2-[(2R,3R)-3-(4-hydroxy-3-methoxy-phenyl)-2-h...
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