145659 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 8 8 8 8 8 8 8 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 4 5 6 6 7 7 8 8 8 9 10 10 11 12 13 13 14 15 15 16 18 18 19 19 20 21 22 23 23 23 24 24 24 25 25 25 26 26 26 27 27 27 9 10 11 23 14 24 17 25 12 20 26 21 27 9 11 12 15 13 16 14 16 18 19 17 17 28 29 20 30 22 31 21 22 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 2 1 2 1 1 2 1 2 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 6.358 4.5981 2.866 2.866 6.3465 8.9846 10.7205 5.4641 5.4641 7.2641 4.5981 6.358 8.1282 3.732 4.5981 7.2641 3.732 8.1244 8.9962 8.9884 9.8564 9.8602 3.732 2 2.866 9.8487 11.5884 4.5981 7.7998 7.5862 8.9985 10.3984 4.042 3.1951 3.422 1.69 1.4631 2.31 2.246 2.866 3.486 9.5366 10.3844 10.1607 11.8964 12.1266 11.2805 -0.2693 2.7654 1.7654 -0.2346 2.8 -2.7621 -1.7688 1.2654 0.2654 0.2446 1.7654 1.8001 -0.2587 1.2654 -0.2346 1.2862 0.2654 -1.2587 0.2379 -1.7621 -1.2654 -0.2654 3.2654 1.2654 -1.2346 -3.2654 -1.2721 -0.8546 1.5983 -1.5667 0.8579 0.0425 3.8023 3.5754 2.7285 1.8023 0.9554 0.7285 -1.2346 -1.8546 -1.2346 -3.8011 -3.5775 -2.7297 -1.8102 -0.9642 -0.734 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 8 8 8 9 10 11 12 13 13 14 15 18 19 20 21 9 10 9 11 12 15 16 14 16 18 19 17 17 20 22 21 22 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 548 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 7 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E0783800000000000000000000000000000000000000306080000000000000814000001A00000000000C048098023206800004008802A05200000208002420000888010688C80D273684351A823962A5E0150AA907CAECBCCE21000108000840004200021000108000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-chromen-4-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-1-benzopyran-4-one IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxychromen-4-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxychromen-4-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-chromen-4-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-chromone InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C20H20O7/c1-22-13-7-6-11(8-15(13)23-2)14-9-12(21)18-16(27-14)10-17(24-3)19(25-4)20(18)26-5/h6-10H,1-5H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 LKMNXYDUQXAUCZ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 372.12090297 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C20H20O7 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 372.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)OC)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)OC)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 72.4 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 372.12090297 27 0 0 0 0 0 0 0 1 -1