66811493 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 52 53 54 55 56 57 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 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 5 5 6 7 7 8 8 8 9 9 9 10 12 12 13 14 15 15 15 16 16 17 18 18 19 19 21 21 22 22 23 23 24 25 26 26 27 27 28 28 29 29 31 31 32 33 33 34 34 35 35 36 36 37 10 14 17 18 13 54 11 20 56 24 30 57 10 11 13 11 12 14 16 22 23 19 38 17 24 26 20 39 27 21 25 20 40 33 34 28 41 29 42 25 43 31 44 32 45 30 46 30 47 32 48 49 35 50 36 51 37 52 37 53 55 1 1 1 1 1 1 2 1 1 2 1 1 1 1 2 1 1 2 2 2 1 1 1 1 1 2 1 1 2 1 2 2 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 2 1 2 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 52 53 54 55 56 57 3.5301 3.799 1.7817 3.5301 0 3.799 7.8602 2.6641 4.3961 2.6641 3.5301 5.2622 1.7702 4.3961 2.9329 1.7702 2.9329 4.665 0.8641 0.8641 5.531 5.2622 6.1282 3.799 4.665 2.039 2.039 6.1282 6.9942 6.9942 1.1329 1.1329 5.531 6.397 6.397 7.2631 7.2631 4.9331 1.7773 0.3284 4.7252 6.1282 5.2019 2.0462 2.0462 6.1282 7.5312 0.5972 0.5972 4.9941 6.397 6.397 7.8 1.2484 7.8 0.0024 8.3972 0.6546 8.9149 3.6892 3.6546 0.6305 11.9149 4.1546 2.1546 2.1546 1.1546 2.6546 2.6546 2.6893 1.1546 10.4149 0.62 9.4149 9.4149 2.1754 1.1338 8.9149 3.6546 2.1546 10.9149 10.4149 10.9496 8.8803 4.1546 2.6546 3.6546 10.4357 9.3941 7.9149 9.4149 7.4149 8.9149 7.9149 0.8446 0 2.4875 3.9646 1.5346 10.7249 11.5695 8.2603 4.7746 2.3446 10.7478 9.082 7.6049 10.0349 6.7949 9.2249 4.0054 7.6049 0.0105 3.8446 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 2 2 8 8 8 9 9 10 12 12 13 15 15 15 16 17 18 19 21 21 22 23 24 26 27 28 29 31 33 34 35 36 10 14 17 18 10 11 13 11 14 16 22 23 19 17 24 26 20 27 25 20 33 34 28 29 25 31 32 30 30 32 35 36 37 37 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 736 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07838000000000000000000000000000000000000003060C1820000000000815400001A00000800000C04A098023006800006008802A05200000208002420000888010608C80C273686351A827960A5E01508B98788ECFCCE20000008000800004000001000100000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;2-phenylchromen-4-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 5,7-dihydroxy-3-(4-hydroxyphenyl)-1-benzopyran-4-one;2-phenyl-1-benzopyran-4-one IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;2-phenylchromen-4-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;2-phenylchromen-4-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(4-hydroxyphenyl)-5,7-bis(oxidanyl)chromen-4-one;2-phenylchromen-4-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 5,7-dihydroxy-3-(4-hydroxyphenyl)chromone;flavone InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C15H10O5.C15H10O2/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19;16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-7,16-18H;1-10H InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 GRFRQSPYHGPFNB-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 492.12090297 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C30H20O7 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 492.5 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2.C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2.C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 113 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 492.12090297 37 0 0 0 0 0 0 0 2 -1