Reference Materials-Aladdin Scientific

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Glycyrrhizic acid, Inhibitor of OATP1B1;Inhibitor of OATP1B3
Cas#: 1405-86-3 Compound CID: 14982

Formula: C₄₂H₆₂O₁₆ Molecular Weight: 822.93

IUPAC Name: (2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

SMILES: CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)C)C(=O)C=C6C3(CCC7(C6CC(CC7)(C)C(=O)O)C)C)C)C

InChIKey: LPLVUJXQOOQHMX-QWBHMCJMSA-N

InChI: InChI=1S/C42H62O16/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54)/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+/m0/s1

Synonyms: (3.BETA.,20.BETA.)-20-CARBOXY-11-OXO-30-NOROLEAN-12-EN-3-YL 2-O-.BETA.-D-GLUCOPYRANURONOSYL-.ALPHA.-D-GLUCOPYRANOSIDU...
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Tamoxifen, Agonist of Estrogen receptor-α;Antagonist of Estrogen receptor-α;Agonist of Estrogen receptor-β;Antagonist of Estrogen receptor-β;Agonist of GPER
- ≥99%(HPLC)
Cas#: 10540-29-1

Formula: C₂₆H₂₉NO Molecular Weight: 371.51

IUPAC Name: 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine

SMILES: CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCCN(C)C)C3=CC=CC=C3

InChIKey: NKANXQFJJICGDU-QPLCGJKRSA-N

InChI: InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-

Synonyms: (Z)-Tamoxifen | ICI 47699 | trans-Tamoxifen
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Cinnamaldehyde, Activator of TRPA1;Activator of TRPV3
- ≥99.5%(GC)
Cas#: 104-55-2 Compound CID: 637511

Formula: C₉H₈O Molecular Weight: 132.16

IUPAC Name: (E)-3-phenylprop-2-enal

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

InChIKey: KJPRLNWUNMBNBZ-QPJJXVBHSA-N

InChI: InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+

Synonyms: cinnamaldehyde|trans-Cinnamaldehyde|104-55-2|14371-10-9|Cinnamic aldehyde|3-Phenylacrylaldehyde|Cinnamal|(E)-Cinnamal...
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Catharanthine
- ≥98%
Cas#: 2468-21-5 Compound CID: 5458190

Formula: C₂₁H₂₄N₂O₂ Molecular Weight: 336.43

IUPAC Name: methyl (1R,15R,18R)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8,16-pentaene-1-carboxylate

SMILES: CCC1=CC2CC3(C1N(C2)CCC4=C3NC5=CC=CC=C45)C(=O)OC

InChIKey: CMKFQVZJOWHHDV-NQZBTDCJSA-N

InChI: InChI=1S/C21H24N2O2/c1-3-14-10-13-11-21(20(24)25-2)18-16(8-9-23(12-13)19(14)21)15-6-4-5-7-17(15)22-18/h4-7,10,13,19,22H,3,8-9,11-12H2,1-2H3/t13-,19+,21-/m0/s1

Synonyms: 7-Ethyl-9,10,12,13-tetrahydro-6,9-methano-5H-pyrido[1',2':1,2]azepino[4,5-b]indole-6(6aH)-carboxylic acid methyl este...
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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-Cinnamaldehyde
- ≥99%
Cas#: 14371-10-9 Compound CID: 637511

Formula: C₉H₈O Molecular Weight: 132.16

IUPAC Name: (E)-3-phenylprop-2-enal

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

InChIKey: KJPRLNWUNMBNBZ-QPJJXVBHSA-N

InChI: InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+

Synonyms: AI3-00473 | Cinnamaldehyde (trans), neat | trans-Cinnamaldehyde, >=99% | Cinnamaldehyde, (E)- | (2E)-3-phenylacrylald...
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Acetaldehyde
- ≥99.5%(GC)
Cas#: 75-07-0 Compound CID: 177

Formula: C₂H₄O Molecular Weight: 44.05

IUPAC Name: acetaldehyde

SMILES: CC=O

InChIKey: IKHGUXGNUITLKF-UHFFFAOYSA-N

InChI: InChI=1S/C2H4O/c1-2-3/h2H,1H3

Synonyms: acetaldehyde|ethanal|75-07-0|acetic aldehyde|ethyl aldehyde|Acetaldehyd|Acetylaldehyde|aldehyde|Aldeide acetica|Octow...
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DL-Menthol, Activator of TRPA1;Gating inhibitor of TRPA1;Activator of TRPM8;Activator of TRPV3
Cas#: 89-78-1 Compound CID: 1254

Formula: C₁₀H₂₀O Molecular Weight: 156.27

IUPAC Name: 5-methyl-2-propan-2-ylcyclohexan-1-ol

SMILES: CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O

InChIKey: NOOLISFMXDJSKH-UHFFFAOYSA-N

InChI: InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3

Synonyms: AKOS016843634 | DTXCID30805 | HY-75161 | MENTHOL, UNSPECIFIED FORM | DTXSID8029650 | Menthol (USP) | DL-Menthol, anal...
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Thymol, Activator of TRPA1;Activator of TRPV3
- ≥99.9%(GC)
Cas#: 89-83-8

Formula: C₁₀H₁₄O Molecular Weight: 150.22

IUPAC Name: 5-methyl-2-propan-2-ylphenol

SMILES: CC1=CC(=C(C=C1)C(C)C)O

InChIKey: MGSRCZKZVOBKFT-UHFFFAOYSA-N

InChI: InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3

Synonyms: AKOS000119786 | EC 201-944-8 | FEMA Number 3066 | THYMOL [WHO-DD] | 2-iso-Propyl-d7-5-Methyl-d3-phenol--d3 | Thymol (...
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trans-Cinnamaldehyde
- ≥98%
Cas#: 14371-10-9 Compound CID: 637511

Formula: C₉H₈O Molecular Weight: 132.16

IUPAC Name: (E)-3-phenylprop-2-enal

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

InChIKey: KJPRLNWUNMBNBZ-QPJJXVBHSA-N

InChI: InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+

Synonyms: AI3-00473 | Cinnamaldehyde (trans), neat | trans-Cinnamaldehyde, >=99% | Cinnamaldehyde, (E)- | (2E)-3-phenylacrylald...
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[6]-Gingerol, Activator of TRPA1
- ≥98%
Cas#: 23513-14-6 Compound CID: 442793

Formula: C₁₇H₂₆O₄ Molecular Weight: 294.39

IUPAC Name: (5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one

SMILES: CCCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)O

InChIKey: NLDDIKRKFXEWBK-AWEZNQCLSA-N

InChI: InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3/t14-/m0/s1

Synonyms: 3-Decanone, 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-, (S)-(+)- | HMS1361D09 | (+)-5-Hydroxy-1-(4-hydroxy-3-methoxyphe...
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Corosolic acid
- ≥98%
Cas#: 4547-24-4 Compound CID: 6918774

Formula: C₃₀H₄₈O₄ Molecular Weight: 472.70

IUPAC Name: (1S,2R,4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-10,11-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid

SMILES: CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1C)C)C(=O)O

InChIKey: HFGSQOYIOKBQOW-ZSDYHTTISA-N

InChI: InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1

Synonyms: BENZYL5-AMINOPYRAZOLE-4-CARBOXYLATE | Corosolic acid, analytical standard | Corosolic acid, United States Pharmacopei...
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