72344 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 48 49 50 51 8 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 6 1 1 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 5 6 7 7 8 8 9 9 9 10 11 12 13 13 14 16 17 17 18 19 19 20 20 21 22 23 24 24 24 25 25 25 26 26 26 27 27 27 28 28 28 29 29 29 10 13 11 24 12 25 14 26 15 27 16 21 28 22 29 10 11 16 12 14 15 17 18 15 18 19 20 30 21 31 23 32 22 23 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 2 2 1 2 1 1 2 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 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 48 49 50 51 6.358 4.5981 4.5981 2.866 2.866 6.3465 8.9846 10.7205 5.4641 5.4641 4.5981 4.5981 7.2641 3.732 3.732 6.358 8.1282 7.2641 8.1244 8.9962 8.9884 9.8564 9.8602 3.732 3.732 2 2 9.8487 11.5884 7.7998 7.5862 8.9985 10.3984 4.042 3.1951 3.422 3.422 3.1951 4.042 1.69 1.4631 2.31 2.31 1.4631 1.69 9.5366 10.3844 10.1607 11.8964 12.1266 11.2805 -0.2693 2.7654 -1.2346 1.7654 -0.2346 2.8 -2.7621 -1.7688 1.2654 0.2654 1.7654 -0.2346 0.2446 1.2654 0.2654 1.8001 -0.2587 1.2862 -1.2587 0.2379 -1.7621 -1.2654 -0.2654 3.2654 -1.7346 1.2654 0.2654 -3.2654 -1.2721 1.5983 -1.5667 0.8579 0.0425 3.8023 3.5754 2.7285 -1.1977 -2.0446 -2.2715 1.8023 0.9554 0.7285 0.8023 0.5754 -0.2715 -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 9 9 9 10 11 12 13 14 16 17 17 19 20 21 22 10 13 10 11 16 12 14 15 18 15 18 19 20 21 23 22 23 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 593 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 8 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 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E0783C00000000000000000000000000000000000000306080000000000000814000001A00000000000C048098023206800004008802A05200000208002420000888010688C80D273684351A823962A5E0150AA907CAECBCCE21000108000840004200021000108000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-chromen-4-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-1-benzopyran-4-one IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxychromen-4-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxychromen-4-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-chromen-4-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-chromone InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 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 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 MRIAQLRQZPPODS-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 2021.10.14 402.13146766 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C21H22O8 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 402.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)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(O2)C(=C(C(=C3OC)OC)OC)OC)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 81.7 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 402.13146766 29 0 0 0 0 0 0 0 1 1