Reference Materials
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Apigenin, Activator of CFTRCas#: 520-36-5 Compound CID: 5280443Formula: C15H10O5 Molecular Weight: 270.24IUPAC Name: 5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-oneSMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)OInChIKey: KZNIFHPLKGYRTM-UHFFFAOYSA-NInChI: InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18HSynonyms: Chamomile | Apigenine | Versulin | 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one | 5,7-dihydroxy-2-(4-hydroxyphe...
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GalanginCas#: 548-83-4Formula: C15H10O5 Molecular Weight: 270.24IUPAC Name: 3,5,7-trihydroxy-2-phenylchromen-4-oneSMILES: C1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OInChIKey: VCCRNZQBSJXYJD-UHFFFAOYSA-NInChI: InChI=1S/C15H10O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,16-17,19HSynonyms: Norizalpinin | 3,5,7-Trihydroxyflavone | 3,5,7-Trihydroxy-2-phenyl-4H-chromen-4-one
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Resveratrol, Inhibitor of COX-2;Agonist of TAS2R14;Antagonist of Peroxisome proliferator-activated receptor-γCas#: 501-36-0 Compound CID: 445154Formula: C14H12O3 Molecular Weight: 228.24IUPAC Name: 5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diolSMILES: C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)OInChIKey: LUKBXSAWLPMMSZ-OWOJBTEDSA-NInChI: 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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Chrysin, Inhibitor of CYP1A1;Inhibitor of CYP1B1Cas#: 480-40-0 Compound CID: 5281607Formula: C15H10O4 Molecular Weight: 254.24IUPAC Name: 5,7-dihydroxy-2-phenylchromen-4-oneSMILES: C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)OInChIKey: RTIXKCRFFJGDFG-UHFFFAOYSA-NInChI: InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17HSynonyms: Chrysin, 97% | cid_5281607 | NCGC00168807-02 | 57D | HMS501O16 | KBioSS_000725 | Chrysin,(S) | LMPK12110189 | NCGC000...
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Kaempferol, Inhibitor of CYP2A13Cas#: 520-18-3 Compound CID: 5280863Formula: C15H10O6 Molecular Weight: 286.24IUPAC Name: 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-oneSMILES: C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)OInChIKey: IYRMWMYZSQPJKC-UHFFFAOYSA-NInChI: InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20HSynonyms: 5,7,4'-Trihydroxyflavonol | DTXCID30768 | Indigo Yellow | KAEMPFEROL [INCI] | Kampferol | SPBio_003058 | NSC656277 | ...
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MyricetinCas#: 529-44-2 Compound CID: 5281672Formula: C15H10O8 Molecular Weight: 318.24IUPAC Name: 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-oneSMILES: C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OInChIKey: IKMDFBPHZNJCSN-UHFFFAOYSA-NInChI: InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22HSynonyms: BIDD:PXR0079 | NCGC00015697-01 | NCGC00179517-01 | FLAVONE, 3,3',4',5,5',7-HEXAHYDROXY- | NCGC00015697-07 | Myricetin...
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RutaecarpineCas#: 84-26-4 Compound CID: 65752Formula: C18H13N3O Molecular Weight: 287.32IUPAC Name: 3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-oneSMILES: C1CN2C(=NC3=CC=CC=C3C2=O)C4=C1C5=CC=CC=C5N4InChIKey: ACVGWSKVRYFWRP-UHFFFAOYSA-NInChI: InChI=1S/C18H13N3O/c22-18-13-6-2-4-8-15(13)20-17-16-12(9-10-21(17)18)11-5-1-3-7-14(11)19-16/h1-8,19H,9-10H2Synonyms: C18H13N3O | SMR001230721 | RUTECARPINE [MI] | Indolo[2',4]pyrido[2,1-b]quinazolin-5(7H)-one, 8,13-dihydro- | Rutaecar...
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Chlorogenic acidCas#: 327-97-9 Compound CID: 1794427Formula: C16H18O9 Molecular Weight: 354.31IUPAC Name: (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acidSMILES: O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H]1O)C(O)=OInChIKey: CWVRJTMFETXNAD-JUHZACGLSA-NInChI: 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/s1Synonyms: (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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IsorhamnetinCas#: 480-19-3 Compound CID: 5281654Formula: C16H12O7 Molecular Weight: 316.26IUPAC Name: 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-oneSMILES: COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)OInChIKey: IZQSVPBOUDKVDZ-UHFFFAOYSA-NInChI: InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3Synonyms: NCGC00163572-02 | 3'-Methoxyquercetin | 3,5,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one | SR-050...
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DiosmetinCas#: 520-34-3 Compound CID: 5281612Formula: C16H12O6 Molecular Weight: 300.26IUPAC Name: 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-oneSMILES: COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)OInChIKey: MBNGWHIJMBWFHU-UHFFFAOYSA-NInChI: InChI=1S/C16H12O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-7,17-19H,1H3Synonyms: BBL027839 | KBio2_004553 | KBioSS_001985 | HSDB 8101 | SR-05000002196 | LMPK12110824 | Q1649664 | ISAKNOX X202 WHITEN...
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HesperitinCas#: 520-33-2 Compound CID: 72281Formula: C16H14O6 Molecular Weight: 302.29IUPAC Name: (2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-oneSMILES: COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)OInChIKey: AIONOLUJZLIMTK-AWEZNQCLSA-NInChI: InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1Synonyms: Hesperitin; Hesperin; YSO2; Prestwick_908 | (2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-4H-chromen-4...
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KaempferideCas#: 491-54-3 Compound CID: 5281666Formula: C16H12O6 Molecular Weight: 300.26IUPAC Name: 3,5,7-trihydroxy-2-(4-methoxyphenyl)chromen-4-oneSMILES: COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OInChIKey: SQFSKOYWJBQGKQ-UHFFFAOYSA-NInChI: InChI=1S/C16H12O6/c1-21-10-4-2-8(3-5-10)16-15(20)14(19)13-11(18)6-9(17)7-12(13)22-16/h2-7,17-18,20H,1H3Synonyms: CCG-267464 | HMS3746E09 | SQFSKOYWJBQGKQ-UHFFFAOYSA-N | 3,5,7-Trihydroxy-4'-methoxyflavone | 3,5,7-Trihydroxy-4'-meth...
