Reference Materials
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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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6,7-DihydroxycoumarinCas#: 305-01-1 Compound CID: 5281416Formula: C9H6O4 Molecular Weight: 178.14IUPAC Name: 6,7-dihydroxychromen-2-oneSMILES: C1=CC(=O)OC2=CC(=C(C=C21)O)OInChIKey: ILEDWLMCKZNDJK-UHFFFAOYSA-NInChI: InChI=1S/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11HSynonyms: 6,7-bis(oxidanyl)chromen-2-one | HMS2097L22 | 6,7-Dihydroxy-2H-1-benzopyran-2-one | Esculin aglucon | HMS1921M14 | Sp...
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SaccharinCas#: 81-07-2 Compound CID: 5143Formula: C7H5NO3S Molecular Weight: 183.18IUPAC Name: 1,1-dioxo-1,2-benzothiazol-3-oneSMILES: C1=CC=C2C(=C1)C(=O)NS2(=O)=OInChIKey: CVHZOJJKTDOEJC-UHFFFAOYSA-NInChI: InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)Synonyms: AI3-38107 | 1,1-Dioxide-1,2-benzisothiazolin-3-one | HSDB 669 | 1,2-Dihydro-2-ketobenzisosulphonazole | Benzosulfinid...
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Dioscin, Antagonist of CXCR3Cas#: 19057-60-4 Compound CID: 119245Formula: C45H72O16 Molecular Weight: 869.05IUPAC Name: (2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triolSMILES: CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)OC1InChIKey: VNONINPVFQTJOC-ZGXDEBHDSA-NInChI: InChI=1S/C45H72O16/c1-19-9-14-45(54-18-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(52)34(50)32(48)22(4)56-41)37(53)38(29(17-46)58-42)59-40-35(51)33(49)31(47)21(3)55-40/h7,19-22,24-42,46-53H,8-18H2,1-6H3/t19-,20+,21+,22+,24+,25-,26+,27+,28+,29-,30+,31+,32+,33-,34-,35-,36-,37+,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1Synonyms: UNII-3B95U4OLWV | 3-O-beta-D-alpha-L-Rhamnopyranosyl(1->4)-[alpha-L-rhamnopyranosyl(1->2)]-beta-D-glucopyranoside-dio...
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KaempferolCas#: 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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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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6,7-DihydroxycoumarinCas#: 305-01-1 Compound CID: 5281416Formula: C9H6O4 Molecular Weight: 178.14IUPAC Name: 6,7-dihydroxychromen-2-oneSMILES: C1=CC(=O)OC2=CC(=C(C=C21)O)OInChIKey: ILEDWLMCKZNDJK-UHFFFAOYSA-NInChI: InChI=1S/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11HSynonyms: Esculetin|305-01-1|6,7-DIHYDROXYCOUMARIN|Aesculetin|6,7-Dihydroxy-2H-chromen-2-one|Cichorigenin|Esculetol|Cichoriin a...
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BI-D1870, Inhibitor of ribosomal protein S6 kinase A1;Inhibitor of ribosomal protein S6 kinase A2;Inhibitor of ribosomal protein S6 kinase A3;Inhibitor of ribosomal protein S6 kinase A6Cas#: 501437-28-1 Compound CID: 25023738Formula: C19H23F2N5O2 Molecular Weight: 391.42IUPAC Name: 2-(3,5-difluoro-4-hydroxyanilino)-5,7-dimethyl-8-(3-methylbutyl)-7H-pteridin-6-oneSMILES: CC1C(=O)N(C2=CN=C(N=C2N1CCC(C)C)NC3=CC(=C(C(=C3)F)O)F)CInChIKey: DTEKTGDVSARYDS-UHFFFAOYSA-NInChI: InChI=1S/C19H23F2N5O2/c1-10(2)5-6-26-11(3)18(28)25(4)15-9-22-19(24-17(15)26)23-12-7-13(20)16(27)14(21)8-12/h7-11,27H,5-6H2,1-4H3,(H,22,23,24)Synonyms: AS-16192 | 2-Ethyl-2-phenyl-butyric acid 2-(2-diethylamino-ethoxy)-ethyl ester; compound with 3-carboxy-3-hydroxy-pe...
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Biochanin A, Agonist of Estrogen-related receptor-α;Agonist of Estrogen-related receptor-β;Agonist of Estrogen-related receptor-γCas#: 491-80-5 Compound CID: 5280373Formula: C16H12O5 Molecular Weight: 284.26IUPAC Name: 5,7-dihydroxy-3-(4-methoxyphenyl)chromen-4-oneSMILES: COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)OInChIKey: WUADCCWRTIWANL-UHFFFAOYSA-NInChI: InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3Synonyms: 5,7-Dihydrox -4'-methoxyisoflavone | B4098 | IDI1_001027 | KBio1_001027 | NCGC00017369-01 | Opera_ID_621 | Tox21_3029...