12303802 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 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 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 6 7 7 8 9 9 10 10 10 11 11 12 13 15 15 16 16 17 18 18 19 20 22 23 24 24 24 25 25 25 26 26 26 27 27 27 28 28 28 9 12 13 24 19 25 20 26 21 27 22 28 17 33 14 11 13 12 14 17 15 16 18 14 20 29 19 30 23 22 31 21 21 23 32 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 2 2 1 2 1 1 1 2 1 1 1 1 1 2 2 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 6.3981 8.1301 10.7282 8.9962 10.7282 2.868 4.6497 6.3981 7.2641 5.532 8.1301 5.532 7.2641 6.3981 8.1301 8.9962 4.6381 4.6381 9.8622 8.9962 9.8622 3.732 3.732 8.1301 11.5942 8.1301 10.7282 2 7.5932 8.9962 4.6453 3.1963 4.1164 8.7501 8.1301 7.5101 11.2842 12.1312 11.9042 7.8201 7.5932 8.4401 10.1082 10.7282 11.3482 2.3079 1.4619 1.6921 -0.1754 1.8246 0.3246 -2.6754 -1.6754 -0.1995 2.8592 2.8246 0.3246 1.3246 -0.1754 0.3246 1.3246 1.8246 -1.1754 0.3246 1.8593 -0.2101 -0.1754 -1.6754 -1.1754 0.3038 1.3454 2.8246 -0.1754 -3.1754 -2.6754 0.2971 -1.4854 0.9446 -0.83 1.6575 3.1754 2.8246 3.4446 2.8246 -0.7123 -0.4854 0.3615 -2.6385 -3.4854 -3.7123 -2.6754 -3.2954 -2.6754 0.8352 0.605 -0.241 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 9 10 10 10 11 11 12 13 15 16 17 18 19 20 22 9 12 13 12 14 17 15 16 18 14 20 19 23 22 21 21 23 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 577 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 1 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 00000371E0783C00000000000000000000000000000000000000306080000000000000814000001A00000800000C048098023206800006008802A05200020208002420000088014688C80D273686351E827962A5E0150AB907C8ECBCCE20000108000840004000021000108000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-hydroxy-3,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-hydroxy-3,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)-1-benzopyran-4-one IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-hydroxy-3,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-hydroxy-3,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3,7-dimethoxy-5-oxidanyl-2-(3,4,5-trimethoxyphenyl)chromen-4-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-hydroxy-3,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)chromone InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C20H20O8/c1-23-11-8-12(21)16-13(9-11)28-18(20(27-5)17(16)22)10-6-14(24-2)19(26-4)15(7-10)25-3/h6-9,21H,1-5H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 SUNUQCQIFHHEOW-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.4 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 388.11581759 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C20H20O8 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 388.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=CC(=C2C(=C1)OC(=C(C2=O)OC)C3=CC(=C(C(=C3)OC)OC)OC)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=CC(=C2C(=C1)OC(=C(C2=O)OC)C3=CC(=C(C(=C3)OC)OC)OC)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 92.7 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 388.11581759 28 0 0 0 0 0 0 0 1 -1