5320287 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 8 8 8 8 8 8 8 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 2 2 3 3 4 4 5 6 6 7 7 8 8 8 9 10 10 11 11 12 14 15 15 16 17 18 18 19 19 20 21 22 23 23 23 24 24 24 9 10 12 30 16 23 14 31 13 21 24 20 32 9 13 14 15 11 12 18 19 13 17 16 25 17 26 20 27 22 28 21 22 29 33 34 35 36 37 38 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 2 1 2 2 1 1 1 1 1 2 1 1 1 2 1 2 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 6.3981 8.1301 2.868 4.6497 6.3981 10.7282 8.9962 5.532 5.532 7.2641 8.1301 7.2641 6.3981 4.6381 4.6381 3.732 3.732 8.1301 8.9962 8.9962 9.8622 9.8622 2 11.5942 4.6453 3.1963 7.5932 8.9962 10.3991 8.1301 4.1164 8.4592 2.3079 1.4619 1.6921 11.9042 12.1312 11.2842 -0.2704 1.7296 -0.2945 2.7642 2.7296 -1.7704 -2.7704 1.2296 0.2296 0.2296 -0.2704 1.2296 1.7296 1.7643 -0.3051 0.2088 1.2504 -1.2704 0.2296 -1.7704 -1.2704 -0.2704 0.2021 -1.2704 -0.925 1.5625 -1.5804 0.8496 0.0396 2.3496 3.0804 -3.0804 0.7402 0.51 -0.336 -1.8073 -0.9604 -0.7335 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 18 19 20 21 9 10 9 13 14 15 12 18 19 13 17 16 17 20 22 21 22 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 517 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 7 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0783800000000000000000000000000000000000000306080000000000000814000001A00000800000C048098023206800006008802A05200020208002420000888014688C80D273686351A827963A5E0150BB907C8ECBCCE20000108000840004000021000108000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 3,5-dihydroxy-2-(3-hydroxy-4-methoxy-phenyl)-7-methoxy-chromen-4-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-1-benzopyran-4-one IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxychromen-4-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxychromen-4-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 7-methoxy-2-(4-methoxy-3-oxidanyl-phenyl)-3,5-bis(oxidanyl)chromen-4-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 3,5-dihydroxy-2-(3-hydroxy-4-methoxy-phenyl)-7-methoxy-chromone InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C17H14O7/c1-22-9-6-11(19)14-13(7-9)24-17(16(21)15(14)20)8-3-4-12(23-2)10(18)5-8/h3-7,18-19,21H,1-2H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 BWORNNDZQGOKBY-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 330.07395278 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C17H14O7 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 330.29 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)O)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 105 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 330.07395278 24 0 0 0 0 0 0 0 1 -1