5352005 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 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 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 8 9 9 10 11 11 12 14 15 15 16 16 17 18 18 19 20 21 22 23 23 23 24 24 24 25 25 25 26 26 26 9 10 12 23 17 24 14 32 20 25 13 21 26 10 13 14 11 12 15 16 18 13 19 17 27 20 28 19 22 29 30 21 22 31 33 34 35 36 37 38 39 40 41 42 43 44 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 2 2 2 1 1 1 1 1 1 1 2 2 1 1 2 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 6.3981 8.1301 2.868 4.6497 8.9962 6.3981 10.7282 5.532 7.2641 5.532 8.1301 7.2641 6.3981 4.6381 4.6381 8.1301 3.732 8.9962 3.732 8.9962 9.8622 9.8622 8.1301 2 8.1301 11.5942 4.6453 7.5932 8.9962 3.1963 10.3991 4.1164 8.7501 8.1301 7.5101 2.3079 1.4619 1.6921 7.8201 7.5932 8.4401 11.9042 12.1312 11.2842 -0.1754 1.8246 -0.1995 2.8592 -2.6754 2.8246 -1.6754 1.3246 0.3246 0.3246 -0.1754 1.3246 1.8246 1.8593 -0.2101 -1.1754 0.3038 0.3246 1.3454 -1.6754 -1.1754 -0.1754 2.8246 0.2971 -3.1754 -1.1754 -0.83 -1.4854 0.9446 1.6575 0.1346 3.1754 2.8246 3.4446 2.8246 0.8352 0.605 -0.241 -2.6385 -3.4854 -3.7123 -1.7123 -0.8654 -0.6385 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 11 12 14 15 16 17 18 20 21 9 10 10 13 14 12 15 16 18 13 19 17 20 19 22 21 22 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 546 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 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E0783800000000000000000000000000000000000000306080000000000000814000001A00000800000C048098023206800006008802A05200020208002420000888014688C80D273686351E827962A5E0150AB907C8ECBCCE20000108000840004000021000108000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(3,4-dimethoxyphenyl)-5-hydroxy-3,7-dimethoxy-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-hydroxy-3,7-dimethoxy-1-benzopyran-4-one IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(3,4-dimethoxyphenyl)-5-hydroxy-3,7-dimethoxychromen-4-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(3,4-dimethoxyphenyl)-5-hydroxy-3,7-dimethoxychromen-4-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(3,4-dimethoxyphenyl)-3,7-dimethoxy-5-oxidanyl-chromen-4-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(3,4-dimethoxyphenyl)-5-hydroxy-3,7-dimethoxy-chromone InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C19H18O7/c1-22-11-8-12(20)16-15(9-11)26-18(19(25-4)17(16)21)10-5-6-13(23-2)14(7-10)24-3/h5-9,20H,1-4H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 HHGPYJLEJGNWJA-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 358.10525291 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C19H18O7 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 358.3 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)OC)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)OC)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 83.4 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 358.10525291 26 0 0 0 0 0 0 0 1 -1